5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid

C13H10ClNO4S — CID 107622764

IUPAC5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCOc1cc(NC(=O)c2ccc(C(=O)O)s2)ccc1Cl
InChIInChI=1S/C13H10ClNO4S/c1-19-9-6-7(2-3-8(9)14)15-12(16)10-4-5-11(20-10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyPAPQAHBGLBNQDZ-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.36
Rot. Bonds4

About 5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid

5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 107622764) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is 5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID107622764
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Name5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCOc1cc(NC(=O)c2ccc(C(=O)O)s2)ccc1Cl
InChIInChI=1S/C13H10ClNO4S/c1-19-9-6-7(2-3-8(9)14)15-12(16)10-4-5-11(20-10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyPAPQAHBGLBNQDZ-UHFFFAOYSA-N
XLogP3.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide
CID 131938402
5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 107622770
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772
N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
CID 107622226
4-bromo-N-(4-chloro-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 107271771
5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 18089373
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid (CID 107622764) is 5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid is COc1cc(NC(=O)c2ccc(C(=O)O)s2)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is PAPQAHBGLBNQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c1-19-9-6-7(2-3-8(9)14)15-12(16)10-4-5-11(20-10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid?
5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 311.75 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 107622764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).