2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid

C19H14ClNO3S — CID 67052318

IUPAC2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1cccc(C(=O)Nc2csc(-c3cccc(Cl)c3)c2C(=O)O)c1
InChIInChI=1S/C19H14ClNO3S/c1-11-4-2-6-13(8-11)18(22)21-15-10-25-17(16(15)19(23)24)12-5-3-7-14(20)9-12/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyAYKSTNXIYGEQNP-UHFFFAOYSA-N
MW371.85 g/mol
LogP5.33
Rot. Bonds4

About 2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid

2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 67052318) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID67052318
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC Name2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1cccc(C(=O)Nc2csc(-c3cccc(Cl)c3)c2C(=O)O)c1
InChIInChI=1S/C19H14ClNO3S/c1-11-4-2-6-13(8-11)18(22)21-15-10-25-17(16(15)19(23)24)12-5-3-7-14(20)9-12/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyAYKSTNXIYGEQNP-UHFFFAOYSA-N
XLogP5.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.85
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromobenzoyl)amino]-2-(3-chlorophenyl)thiophene-3-carboxylic acid
CID 67052311
2-(6-chloro-3-pyridinyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 58191464
2-(4-chlorophenyl)-4-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 58191544
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
2-(6-chloro-3-pyridinyl)-4-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 88966042
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 71000646
3-[(3-methylbenzoyl)amino]phthalic acid
CID 17172174
2-benzamido-4-(3-chlorophenyl)thiophene-3-carboxylic acid
CID 139391684
2-[(3-methylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 1037842
2-(4-chlorophenyl)-4-[(4-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 67052256
3-chloro-N-(3-methylphenyl)benzamide
CID 722373

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid (CID 67052318) is 2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid is Cc1cccc(C(=O)Nc2csc(-c3cccc(Cl)c3)c2C(=O)O)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is AYKSTNXIYGEQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c1-11-4-2-6-13(8-11)18(22)21-15-10-25-17(16(15)19(23)24)12-5-3-7-14(20)9-12/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid?
2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 371.85 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[(3-methylbenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 67052318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).