5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide

C14H13NO2S2 — CID 9072643

IUPAC5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc(C(C)=O)s2)c1
InChIInChI=1S/C14H13NO2S2/c1-9(16)12-6-7-13(19-12)14(17)15-10-4-3-5-11(8-10)18-2/h3-8H,1-2H3,(H,15,17)
InChIKeyOLRFZBXVGYFESE-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.92
Rot. Bonds4

About 5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide

5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide (PubChem CID 9072643) has the molecular formula C14H13NO2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
PubChem CID9072643
Molecular FormulaC14H13NO2S2
Molecular Weight291.40 g/mol
Exact Mass291.04
IUPAC Name5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
SMILESCSc1cccc(NC(=O)c2ccc(C(C)=O)s2)c1
InChIInChI=1S/C14H13NO2S2/c1-9(16)12-6-7-13(19-12)14(17)15-10-4-3-5-11(8-10)18-2/h3-8H,1-2H3,(H,15,17)
InChIKeyOLRFZBXVGYFESE-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
CID 18089390
4-ethyl-5-methyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide
CID 26086809
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
1-(3-acetylphenyl)-3-(3-methylsulfanylphenyl)thiourea
CID 53489029
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
CID 23881595
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 18089373

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide (CID 9072643) is 5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide is CSc1cccc(NC(=O)c2ccc(C(C)=O)s2)c1.
What is the InChIKey of 5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide?
The InChIKey is OLRFZBXVGYFESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S2/c1-9(16)12-6-7-13(19-12)14(17)15-10-4-3-5-11(8-10)18-2/h3-8H,1-2H3,(H,15,17).
What are the key properties of 5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide?
5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9072643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).