20Y

4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide

Created:	2013-08-14
Last modified:	2013-08-21

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1 entries where 20Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	17

2D diagram of 20Y

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Chemical Component Summary
Name	4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide
Systematic Name (OpenEye OEToolkits)	4-acetamido-N-(2-azanyl-5-thiophen-2-yl-phenyl)benzamide
Formula	C₁₉ H₁₇ N₃ O₂ S
Molecular Weight	351.422
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccc(cc1)C(=O)Nc2c(N)ccc(c2)c3sccc3)C
SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3sccc3
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3sccc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3
InChI	InChI	1.03	InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
InChIKey	InChI	1.03	ABZSPJVXTTUFAA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL235842
PubChem	6918878
ChEMBL	CHEMBL235842
ChEBI	CHEBI:95226

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.