5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid

C14H12ClNO3S — CID 106860463

IUPAC5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)c(Cl)c1
InChIInChI=1S/C14H12ClNO3S/c1-7-3-4-9(10(15)5-7)13(17)16-11-6-8(2)12(20-11)14(18)19/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyXPMZETIAQZZAOL-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.97
Rot. Bonds3

About 5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 106860463) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID106860463
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)c(Cl)c1
InChIInChI=1S/C14H12ClNO3S/c1-7-3-4-9(10(15)5-7)13(17)16-11-6-8(2)12(20-11)14(18)19/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyXPMZETIAQZZAOL-UHFFFAOYSA-N
XLogP3.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid with MolForge

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Related Compounds

5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 107986401
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 113258936
5-[(4-bromo-2-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 81368112
5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 43515062
5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43361345
5-[(2-bromo-4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772531
5-[(2,5-difluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 24701855
2-chloro-4-fluoro-N-[4-methyl-5-[4-(3-methylphenyl)piperazine-1-carbonyl]thiophen-2-yl]benzamide
CID 55789096
5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356628
5-[(2-bromo-5-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 16772744
5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 107653080

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid (CID 106860463) is 5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1ccc(C(=O)Nc2cc(C)c(C(=O)O)s2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is XPMZETIAQZZAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-7-3-4-9(10(15)5-7)13(17)16-11-6-8(2)12(20-11)14(18)19/h3-6H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 309.77 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 106860463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).