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

C14H11Cl2NO3S — CID 16777479

IUPAC2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1C
InChIInChI=1S/C14H11Cl2NO3S/c1-6-7(2)21-13(11(6)14(19)20)17-12(18)9-4-3-8(15)5-10(9)16/h3-5H,1-2H3,(H,17,18)(H,19,20)
InChIKeyZGVVSOPAQYDPKX-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.62
Rot. Bonds3

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

2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 16777479) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID16777479
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1C
InChIInChI=1S/C14H11Cl2NO3S/c1-6-7(2)21-13(11(6)14(19)20)17-12(18)9-4-3-8(15)5-10(9)16/h3-5H,1-2H3,(H,17,18)(H,19,20)
InChIKeyZGVVSOPAQYDPKX-UHFFFAOYSA-N
XLogP4.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.62
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]-5-methylthiophene-3-carboxylic acid
CID 63615045
2-[(2,5-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 29280549
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
2-[(4-bromo-3-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 81289030
diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1115915
4,5-dimethyl-2-[(4-methylnaphthalene-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 175140929
2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 63616464
2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56824654
ethyl 4-carbamoyl-5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 1219793
4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802404
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-2,4-dichlorobenzamide
CID 16874469

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 16777479) is 2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1C.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is ZGVVSOPAQYDPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-6-7(2)21-13(11(6)14(19)20)17-12(18)9-4-3-8(15)5-10(9)16/h3-5H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 344.22 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 16777479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).