2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid

C13H10ClNO3S — CID 759998

IUPAC2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C13H10ClNO3S/c1-7-5-10(13(17)18)12(19-7)15-11(16)8-3-2-4-9(14)6-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyDNPYUTFCSQBSLS-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.66
Rot. Bonds3

About 2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid

2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid (PubChem CID 759998) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
PubChem CID759998
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC Name2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C13H10ClNO3S/c1-7-5-10(13(17)18)12(19-7)15-11(16)8-3-2-4-9(14)6-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyDNPYUTFCSQBSLS-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid (CID 759998) is 2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)c2cccc(Cl)c2)s1.
What is the InChIKey of 2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
The InChIKey is DNPYUTFCSQBSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c1-7-5-10(13(17)18)12(19-7)15-11(16)8-3-2-4-9(14)6-8/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid?
2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid has a molecular weight of 295.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 759998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).