2-(phenylcarbamoyl)thiophene-3-carboxylic acid

C12H9NO3S — CID 15022369

IUPAC2-(phenylcarbamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C(=O)Nc1ccccc1
InChIInChI=1S/C12H9NO3S/c14-11(13-8-4-2-1-3-5-8)10-9(12(15)16)6-7-17-10/h1-7H,(H,13,14)(H,15,16)
InChIKeyCYYDCXXRPAYVGR-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.70
Rot. Bonds3

About 2-(phenylcarbamoyl)thiophene-3-carboxylic acid

2-(phenylcarbamoyl)thiophene-3-carboxylic acid (PubChem CID 15022369) has the molecular formula C12H9NO3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-(phenylcarbamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(phenylcarbamoyl)thiophene-3-carboxylic acid
PubChem CID15022369
Molecular FormulaC12H9NO3S
Molecular Weight247.28 g/mol
Exact Mass247.03
IUPAC Name2-(phenylcarbamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C(=O)Nc1ccccc1
InChIInChI=1S/C12H9NO3S/c14-11(13-8-4-2-1-3-5-8)10-9(12(15)16)6-7-17-10/h1-7H,(H,13,14)(H,15,16)
InChIKeyCYYDCXXRPAYVGR-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

2-acetamido-N-phenylthiophene-3-carboxamide
CID 901593
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
2-bromo-5-[(3-bromothiophene-2-carbonyl)amino]benzoic acid
CID 113281061
2-benzamidothiophene-3-carboxylic acid
CID 16639461
5-[(3-bromothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 63802750
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 113281020
N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide
CID 112770069
3-acetylthiophene-2-carboxylic acid
CID 818927
2-hydroxy-N-phenylbenzamide
CID 157209959

Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(phenylcarbamoyl)thiophene-3-carboxylic acid (CID 15022369) is 2-(phenylcarbamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(phenylcarbamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(phenylcarbamoyl)thiophene-3-carboxylic acid is O=C(O)c1ccsc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(phenylcarbamoyl)thiophene-3-carboxylic acid?
The InChIKey is CYYDCXXRPAYVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c14-11(13-8-4-2-1-3-5-8)10-9(12(15)16)6-7-17-10/h1-7H,(H,13,14)(H,15,16).
What are the key properties of 2-(phenylcarbamoyl)thiophene-3-carboxylic acid?
2-(phenylcarbamoyl)thiophene-3-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 2-(phenylcarbamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 15022369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).