2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

C14H11F2NO3S — CID 29280549

IUPAC2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)c2cc(F)ccc2F)c(C(=O)O)c1C
InChIInChI=1S/C14H11F2NO3S/c1-6-7(2)21-13(11(6)14(19)20)17-12(18)9-5-8(15)3-4-10(9)16/h3-5H,1-2H3,(H,17,18)(H,19,20)
InChIKeyVWBSHQHBTLTLQO-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.59
Rot. Bonds3

About 2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 29280549) has the molecular formula C14H11F2NO3S and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID29280549
Molecular FormulaC14H11F2NO3S
Molecular Weight311.31 g/mol
Exact Mass311.04
IUPAC Name2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)c2cc(F)ccc2F)c(C(=O)O)c1C
InChIInChI=1S/C14H11F2NO3S/c1-6-7(2)21-13(11(6)14(19)20)17-12(18)9-5-8(15)3-4-10(9)16/h3-5H,1-2H3,(H,17,18)(H,19,20)
InChIKeyVWBSHQHBTLTLQO-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-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 82877767
2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777479
methyl 2-[(5-fluoro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 33075863
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 4766562
5-[(2,5-difluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 24701855
4,5-dimethyl-2-[[2-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 16775676
4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802404
4,5-dimethyl-2-[(4-methylnaphthalene-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 175140929
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108802498
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide
CID 18089620

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 29280549) is 2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is Cc1sc(NC(=O)c2cc(F)ccc2F)c(C(=O)O)c1C.
What is the InChIKey of 2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is VWBSHQHBTLTLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3S/c1-6-7(2)21-13(11(6)14(19)20)17-12(18)9-5-8(15)3-4-10(9)16/h3-5H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic 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-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 29280549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).