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

C13H10ClNO3S — CID 43414411

IUPAC5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H10ClNO3S/c1-7-6-8(14)2-3-9(7)15-12(16)10-4-5-11(19-10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyMVBWBRHJQPPQQR-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.66
Rot. Bonds3

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

5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 43414411) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID43414411
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC Name5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H10ClNO3S/c1-7-6-8(14)2-3-9(7)15-12(16)10-4-5-11(19-10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyMVBWBRHJQPPQQR-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 17432904
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
N-(4-chloro-2-methylphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61076895
4-amino-N-(4-chloro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 61093919
5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 103587004
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(4-chloro-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2671075
N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 103766831
5-acetamido-N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 24606547
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 18089885

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid (CID 43414411) is 5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid is Cc1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is MVBWBRHJQPPQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c1-7-6-8(14)2-3-9(7)15-12(16)10-4-5-11(19-10)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid?
5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 295.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43414411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).