5-(phenylcarbamoyl)thiophene-2-carboxylic acid

C12H9NO3S — CID 43414375

IUPAC5-(phenylcarbamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C12H9NO3S/c14-11(13-8-4-2-1-3-5-8)9-6-7-10(17-9)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKeyKHQYTRTZEJCFKT-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.70
Rot. Bonds3

About 5-(phenylcarbamoyl)thiophene-2-carboxylic acid

5-(phenylcarbamoyl)thiophene-2-carboxylic acid (PubChem CID 43414375) has the molecular formula C12H9NO3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-(phenylcarbamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(phenylcarbamoyl)thiophene-2-carboxylic acid
PubChem CID43414375
Molecular FormulaC12H9NO3S
Molecular Weight247.28 g/mol
Exact Mass247.03
IUPAC Name5-(phenylcarbamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C12H9NO3S/c14-11(13-8-4-2-1-3-5-8)9-6-7-10(17-9)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKeyKHQYTRTZEJCFKT-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-diphenylthiophene-2-carboxamide
CID 3746437
5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414555
methyl 5-[(4-phenoxyphenyl)carbamoyl]thiophene-2-carboxylate
CID 38764463
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
5-(1,3-benzodioxol-5-ylcarbamoyl)thiophene-2-carboxylic acid
CID 43414348
2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
CID 23881595
5-[[2-(difluoromethoxy)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 43414513
5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 114388882
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 115577507
N-(3-acetamidophenyl)-5-acetylthiophene-2-carboxamide
CID 18089390
5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 119185766

Frequently Asked Questions

What is the IUPAC name of 5-(phenylcarbamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(phenylcarbamoyl)thiophene-2-carboxylic acid (CID 43414375) is 5-(phenylcarbamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(phenylcarbamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(phenylcarbamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 5-(phenylcarbamoyl)thiophene-2-carboxylic acid?
The InChIKey is KHQYTRTZEJCFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c14-11(13-8-4-2-1-3-5-8)9-6-7-10(17-9)12(15)16/h1-7H,(H,13,14)(H,15,16).
What are the key properties of 5-(phenylcarbamoyl)thiophene-2-carboxylic acid?
5-(phenylcarbamoyl)thiophene-2-carboxylic acid has a molecular weight of 247.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylcarbamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43414375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).