N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

C24H17N3O2S3 — CID 18911138

IUPACN-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESN#Cc1c(-c2ccccc2)csc1NC(=O)CSc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H17N3O2S3/c25-13-19-20(16-6-2-1-3-7-16)14-32-24(19)27-22(28)15-31-18-9-4-8-17(12-18)26-23(29)21-10-5-11-30-21/h1-12,14H,15H2,(H,26,29)(H,27,28)
InChIKeyALZSRRVNXOGZJT-UHFFFAOYSA-N
MW475.62 g/mol
LogP6.33
Rot. Bonds7

About N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 18911138) has the molecular formula C24H17N3O2S3 and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID18911138
Molecular FormulaC24H17N3O2S3
Molecular Weight475.62 g/mol
Exact Mass475.05
IUPAC NameN-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESN#Cc1c(-c2ccccc2)csc1NC(=O)CSc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H17N3O2S3/c25-13-19-20(16-6-2-1-3-7-16)14-32-24(19)27-22(28)15-31-18-9-4-8-17(12-18)26-23(29)21-10-5-11-30-21/h1-12,14H,15H2,(H,26,29)(H,27,28)
InChIKeyALZSRRVNXOGZJT-UHFFFAOYSA-N
XLogP6.33
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.62
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide with MolForge

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Related Compounds

2-[[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18897614
N-(3-cyano-4-phenylthiophen-2-yl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19317591
N-[(E)-3-[3-[2-[[3-cyano-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylanilino]-1-(2,4-dichlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19050744
N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298764
N-[(E)-3-[3-[2-[[3-cyano-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxoethyl]sulfanylanilino]-1-(2-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19322396
N-[3-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906203
N-[3-[2-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18911139
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906207
N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298761
2-[[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18897680
4-[3-[1-[(3-cyano-4-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 18898241
2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide
CID 46731752

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 18911138) is N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is N#Cc1c(-c2ccccc2)csc1NC(=O)CSc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is ALZSRRVNXOGZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2S3/c25-13-19-20(16-6-2-1-3-7-16)14-32-24(19)27-22(28)15-31-18-9-4-8-17(12-18)26-23(29)21-10-5-11-30-21/h1-12,14H,15H2,(H,26,29)(H,27,28).
What are the key properties of N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 6.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18911138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).