4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid

C18H13ClN2O3S — CID 46185111

IUPAC4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cn3)c2C(=O)O)cc1
InChIInChI=1S/C18H13ClN2O3S/c1-10-2-4-11(5-3-10)16(22)21-17-15(18(23)24)13(9-25-17)14-7-6-12(19)8-20-14/h2-9H,1H3,(H,21,22)(H,23,24)
InChIKeyCIHYNLOAPDSRJR-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.72
Rot. Bonds4

About 4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid

4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 46185111) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID46185111
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cn3)c2C(=O)O)cc1
InChIInChI=1S/C18H13ClN2O3S/c1-10-2-4-11(5-3-10)16(22)21-17-15(18(23)24)13(9-25-17)14-7-6-12(19)8-20-14/h2-9H,1H3,(H,21,22)(H,23,24)
InChIKeyCIHYNLOAPDSRJR-UHFFFAOYSA-N
XLogP4.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chlorophenyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 118709540
4-(4-Chlorophenyl)-2-(pyridine-4-carbonylamino)thiophene-3-carboxylic acid
CID 67203703
4-(4-Chlorophenyl)-2-(quinoline-5-carbonylamino)thiophene-3-carboxylic acid
CID 168289863
4-(4-Chlorophenyl)-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid
CID 168292120
4-[[(6-Thiophen-2-ylpyridine-3-carbonyl)amino]methyl]benzoic acid
CID 54760398
4-(4-Chlorophenyl)-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 168274661
Methyl 4-ethyl-5-methyl-2-[(4-pyridin-3-ylbenzoyl)amino]thiophene-3-carboxylate
CID 71654981
4-(4-Chlorophenyl)-2-(quinoline-8-carbonylamino)thiophene-3-carboxylic acid
CID 168286472
US9604977, Example 230
CID 118158694
Ethyl 4-(4-chlorophenyl)-5-methyl-2-(nicotinamido)thiophene-3-carboxylate
CID 1047809
Propan-2-yl 2-[(2-chloropyridine-3-carbonyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
CID 1017742
4-[(4-Chlorophenyl)carbamoyl]-2-[(5-pyridin-2-ylthiophene-2-carbonyl)amino]benzoic acid
CID 155549349

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid (CID 46185111) is 4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid is Cc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cn3)c2C(=O)O)cc1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is CIHYNLOAPDSRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c1-10-2-4-11(5-3-10)16(22)21-17-15(18(23)24)13(9-25-17)14-7-6-12(19)8-20-14/h2-9H,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 372.83 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 46185111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).