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

C19H14ClNO3S — CID 71000646

IUPAC4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccc(C(=O)Nc2scc(-c3cccc(Cl)c3)c2C(=O)O)cc1
InChIInChI=1S/C19H14ClNO3S/c1-11-5-7-12(8-6-11)17(22)21-18-16(19(23)24)15(10-25-18)13-3-2-4-14(20)9-13/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyDIUANGTVMQLXDO-UHFFFAOYSA-N
MW371.85 g/mol
LogP5.33
Rot. Bonds4

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

4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 71000646) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID71000646
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC Name4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESCc1ccc(C(=O)Nc2scc(-c3cccc(Cl)c3)c2C(=O)O)cc1
InChIInChI=1S/C19H14ClNO3S/c1-11-5-7-12(8-6-11)17(22)21-18-16(19(23)24)15(10-25-18)13-3-2-4-14(20)9-13/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyDIUANGTVMQLXDO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

2-benzamido-4-(3-chlorophenyl)thiophene-3-carboxylic acid
CID 139391684
4-(3-chlorophenyl)-2-[(3-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 25225583
2-[(4-chlorobenzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid
CID 25225963
2-[(3-methylbenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 1037842
2-[(3-fluorobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 25225584
2-[(4-bromobenzoyl)amino]-4-(3,5-dichlorophenyl)thiophene-3-carboxylic acid
CID 25225371
2-[(3-methylbenzoyl)amino]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
CID 25226135
2-[(4-fluorobenzoyl)amino]-4-phenylthiophene-3-carboxylic acid
CID 829695
methyl 4-(4-chlorophenyl)-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 2241845
[4-(2-bromophenyl)-2-[(4-chlorobenzoyl)amino]thiophene-3-carbonyl] 2-[(4-chlorobenzoyl)amino]-4-(3-chlorophenyl)thiophene-3-carboxylate
CID 91318896
2-[(5-chloro-1,3-benzoxazole-2-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 91116195
methyl 2-[(4-chlorobenzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate
CID 2241779

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid (CID 71000646) is 4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid is Cc1ccc(C(=O)Nc2scc(-c3cccc(Cl)c3)c2C(=O)O)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is DIUANGTVMQLXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c1-11-5-7-12(8-6-11)17(22)21-18-16(19(23)24)15(10-25-18)13-3-2-4-14(20)9-13/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid?
4-(3-chlorophenyl)-2-[(4-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 4-(3-chlorophenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 71000646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).