2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate

C24H15ClNO3S- — CID 2323012

IUPAC2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate
SMILESO=C(Nc1scc(-c2ccc(-c3ccccc3)cc2)c1C(=O)[O-])c1ccccc1Cl
InChIInChI=1S/C24H16ClNO3S/c25-20-9-5-4-8-18(20)22(27)26-23-21(24(28)29)19(14-30-23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H,26,27)(H,28,29)/p-1
InChIKeyCEGLQUNFDWQLEQ-UHFFFAOYSA-M
MW432.91 g/mol
LogP5.35
Rot. Bonds5

About 2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate

2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate (PubChem CID 2323012) has the molecular formula C24H15ClNO3S- and a molecular weight of 432.91 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate
PubChem CID2323012
Molecular FormulaC24H15ClNO3S-
Molecular Weight432.91 g/mol
Exact Mass432.05
IUPAC Name2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate
SMILESO=C(Nc1scc(-c2ccc(-c3ccccc3)cc2)c1C(=O)[O-])c1ccccc1Cl
InChIInChI=1S/C24H16ClNO3S/c25-20-9-5-4-8-18(20)22(27)26-23-21(24(28)29)19(14-30-23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H,26,27)(H,28,29)/p-1
InChIKeyCEGLQUNFDWQLEQ-UHFFFAOYSA-M
XLogP5.35
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-chlorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 2241799
methyl 2-[(2-chlorobenzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
CID 2353793
4-(4-chlorophenyl)-2-[1-(2-chlorophenyl)ethenylamino]thiophene-3-carboxylic acid
CID 89177651
methyl 2-[(2-chlorobenzoyl)amino]-4-(4-propoxyphenyl)thiophene-3-carboxylate
CID 2241801
2-[(2-chloro-5-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxamide
CID 1014648
methyl 4-(4-chlorophenyl)-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 2241845
4-(4-chlorophenyl)-2-[[(2S)-3-(2-chlorophenyl)-2-fluoropropanoyl]amino]thiophene-3-carboxylic acid
CID 58295629
2-(2,1,3-benzothiadiazole-4-carbonylamino)-4-(4-chlorophenyl)thiophene-3-carboxylic acid
CID 67052275
4-(4-ethylphenyl)-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 28859863
2-[(4-fluorobenzoyl)amino]-4-phenylthiophene-3-carboxylic acid
CID 829695
2-benzamido-4-(3-chlorophenyl)thiophene-3-carboxylic acid
CID 139391684
ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 2807643

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate (CID 2323012) is 2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate is O=C(Nc1scc(-c2ccc(-c3ccccc3)cc2)c1C(=O)[O-])c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate?
The InChIKey is CEGLQUNFDWQLEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H16ClNO3S/c25-20-9-5-4-8-18(20)22(27)26-23-21(24(28)29)19(14-30-23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H,(H,26,27)(H,28,29)/p-1.
What are the key properties of 2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate?
2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate has a molecular weight of 432.91 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]-4-(4-phenylphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 2323012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).