4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid

C14H12ClNO3S — CID 43358861

IUPAC4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid
SMILESCCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)s1
InChIInChI=1S/C14H12ClNO3S/c1-2-9-4-6-12(20-9)13(17)16-11-7-8(14(18)19)3-5-10(11)15/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyPAAAVJORLAPUAS-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.91
Rot. Bonds4

About 4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid

4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid (PubChem CID 43358861) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid
PubChem CID43358861
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid
SMILESCCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)s1
InChIInChI=1S/C14H12ClNO3S/c1-2-9-4-6-12(20-9)13(17)16-11-7-8(14(18)19)3-5-10(11)15/h3-7H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyPAAAVJORLAPUAS-UHFFFAOYSA-N
XLogP3.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
CID 54594630
N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide
CID 64786376
4-chloro-3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030925
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 4219949
4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid
CID 65206218
4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
CID 107959571
N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide
CID 47249430
4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
CID 43358625
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 63742413
N-(2-bromo-4-carbamothioylphenyl)-5-ethylthiophene-2-carboxamide
CID 107789968
3-[(2-amino-2-methylpropanoyl)amino]-4-chlorobenzoic acid
CID 61267024
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid (CID 43358861) is 4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid is CCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)s1.
What is the InChIKey of 4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is PAAAVJORLAPUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-2-9-4-6-12(20-9)13(17)16-11-7-8(14(18)19)3-5-10(11)15/h3-7H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid?
4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 309.77 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43358861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).