4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid

C15H15NO3S — CID 950144

IUPAC4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C15H15NO3S/c1-8-6-4-5-7-11(8)13(17)16-14-12(15(18)19)9(2)10(3)20-14/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyWURPXKSJIAIRMT-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.62
Rot. Bonds3

About 4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid

4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 950144) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID950144
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C15H15NO3S/c1-8-6-4-5-7-11(8)13(17)16-14-12(15(18)19)9(2)10(3)20-14/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyWURPXKSJIAIRMT-UHFFFAOYSA-N
XLogP3.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-2-[(4-methylnaphthalene-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 175140929
2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 82877767
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
2-[(2-iodo-3-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56502350
2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 1318924
2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 29280549
2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 16777479
4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid
CID 16773867
2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 1021509
4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
CID 55219459
N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide
CID 7287219

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid (CID 950144) is 4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid is Cc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is WURPXKSJIAIRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-8-6-4-5-7-11(8)13(17)16-14-12(15(18)19)9(2)10(3)20-14/h4-7H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid?
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 289.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 950144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).