2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid

C14H11F2NO3S — CID 62867660

IUPAC2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid
SMILESCc1cc(C(=O)Nc2cc(F)c(F)cc2C(=O)O)sc1C
InChIInChI=1S/C14H11F2NO3S/c1-6-3-12(21-7(6)2)13(18)17-11-5-10(16)9(15)4-8(11)14(19)20/h3-5H,1-2H3,(H,17,18)(H,19,20)
InChIKeyFTFWJHDMEGPUGV-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.59
Rot. Bonds3

About 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid

2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid (PubChem CID 62867660) has the molecular formula C14H11F2NO3S and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid.

Molecular Properties

Compound Name2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid
PubChem CID62867660
Molecular FormulaC14H11F2NO3S
Molecular Weight311.31 g/mol
Exact Mass311.04
IUPAC Name2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid
SMILESCc1cc(C(=O)Nc2cc(F)c(F)cc2C(=O)O)sc1C
InChIInChI=1S/C14H11F2NO3S/c1-6-3-12(21-7(6)2)13(18)17-11-5-10(16)9(15)4-8(11)14(19)20/h3-5H,1-2H3,(H,17,18)(H,19,20)
InChIKeyFTFWJHDMEGPUGV-UHFFFAOYSA-N
XLogP3.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-dimethylthiophene-2-carbonyl)amino]-5-hydroxybenzoic acid
CID 61405863
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
2-[(4,5-dimethylthiophene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63653051
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584
N-(4-chloro-2-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 103766831
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-4-chlorobenzoic acid
CID 79981518
N-(2-cyano-4-fluorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 79954018
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid
CID 103791536
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31504674
5-[(2,5-difluoro-4-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 103587004

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid?
The IUPAC name of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid (CID 62867660) is 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid.
What is the SMILES notation for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid?
The canonical SMILES for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid is Cc1cc(C(=O)Nc2cc(F)c(F)cc2C(=O)O)sc1C.
What is the InChIKey of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid?
The InChIKey is FTFWJHDMEGPUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3S/c1-6-3-12(21-7(6)2)13(18)17-11-5-10(16)9(15)4-8(11)14(19)20/h3-5H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid?
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid has a molecular weight of 311.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylthiophene-2-carbonyl)amino]-4,5-difluorobenzoic acid is sourced from PubChem (CID 62867660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).