2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C15H15ClN2O2S — CID 692952

IUPAC2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc(Cl)cc2)c(C(N)=O)c1C
InChIInChI=1S/C15H15ClN2O2S/c1-8-9(2)21-15(13(8)14(17)20)18-12(19)7-10-3-5-11(16)6-4-10/h3-6H,7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyRRWFUOURRKUMSQ-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.30
Rot. Bonds4

About 2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 692952) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID692952
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc(Cl)cc2)c(C(N)=O)c1C
InChIInChI=1S/C15H15ClN2O2S/c1-8-9(2)21-15(13(8)14(17)20)18-12(19)7-10-3-5-11(16)6-4-10/h3-6H,7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyRRWFUOURRKUMSQ-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165
4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 46926709
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
ethyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8719684
2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 28858443
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 17195694
(6S)-2-[[2-(4-chlorophenyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7026353
2-[4-(4-chlorophenyl)butanoylamino]-5-methyl-4-phenylthiophene-3-carboxamide
CID 55774775
2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate
CID 7741576
2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 1460381
2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108807071

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 692952) is 2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)Cc2ccc(Cl)cc2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is RRWFUOURRKUMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-8-9(2)21-15(13(8)14(17)20)18-12(19)7-10-3-5-11(16)6-4-10/h3-6H,7H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 692952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).