3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid

C13H10ClNO3S — CID 114914551

IUPAC3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClNO3S/c1-7-6-19-11(13(17)18)10(7)15-12(16)8-3-2-4-9(14)5-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyFEOCTGBFSDLTOZ-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.66
Rot. Bonds3

About 3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid

3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid (PubChem CID 114914551) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is 3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
PubChem CID114914551
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC Name3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClNO3S/c1-7-6-19-11(13(17)18)10(7)15-12(16)8-3-2-4-9(14)5-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyFEOCTGBFSDLTOZ-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

3-[(4-chloro-2-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914774
3-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914998
3-[(3,5-dimethylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914554
4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914626
4-methyl-3-(thiophene-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914762
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
4-methyl-3-[(5-methylfuran-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 114915122
methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915804
3-[(3-fluoro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914898
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914930
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid (CID 114914551) is 3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
The InChIKey is FEOCTGBFSDLTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c1-7-6-19-11(13(17)18)10(7)15-12(16)8-3-2-4-9(14)5-8/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid?
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-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 3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 114914551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).