5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide

C13H12N2O2S2 — CID 87897926

IUPAC5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)CS
InChIInChI=1S/C13H12N2O2S2/c14-12(17)9-6-10(8-4-2-1-3-5-8)19-13(9)15-11(16)7-18/h1-6,18H,7H2,(H2,14,17)(H,15,16)
InChIKeyXDAKMYFKJMTUFK-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.38
Rot. Bonds4

About 5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide

5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide (PubChem CID 87897926) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
PubChem CID87897926
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC Name5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)CS
InChIInChI=1S/C13H12N2O2S2/c14-12(17)9-6-10(8-4-2-1-3-5-8)19-13(9)15-11(16)7-18/h1-6,18H,7H2,(H2,14,17)(H,15,16)
InChIKeyXDAKMYFKJMTUFK-UHFFFAOYSA-N
XLogP2.38
TPSA72.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide
CID 16857900
5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide
CID 3534907
2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9169110
2-[[2-(4-acetylanilino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9113396
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 7998372
2-(3-phenothiazin-10-ylpropanoylamino)-5-phenylthiophene-3-carboxamide
CID 2446842
2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5-phenylthiophene-3-carboxamide
CID 16857906
2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide
CID 118729460
5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
CID 70158303
2-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857911
2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857829
2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 4826880

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide (CID 87897926) is 5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CS.
What is the InChIKey of 5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide?
The InChIKey is XDAKMYFKJMTUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c14-12(17)9-6-10(8-4-2-1-3-5-8)19-13(9)15-11(16)7-18/h1-6,18H,7H2,(H2,14,17)(H,15,16).
What are the key properties of 5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide?
5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 87897926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).