2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide

C24H19ClN2OS — CID 66551654

IUPAC2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C24H19ClN2OS/c25-19-13-11-17(12-14-19)20-21(24(28)27-15-16-7-3-1-4-8-16)23(26)29-22(20)18-9-5-2-6-10-18/h1-14H,15,26H2,(H,27,28)
InChIKeyLBHXLBWQYFDOSU-UHFFFAOYSA-N
MW418.95 g/mol
LogP6.25
Rot. Bonds5

About 2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide

2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide (PubChem CID 66551654) has the molecular formula C24H19ClN2OS and a molecular weight of 418.95 g/mol. Its IUPAC name is 2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide
PubChem CID66551654
Molecular FormulaC24H19ClN2OS
Molecular Weight418.95 g/mol
Exact Mass418.09
IUPAC Name2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C24H19ClN2OS/c25-19-13-11-17(12-14-19)20-21(24(28)27-15-16-7-3-1-4-8-16)23(26)29-22(20)18-9-5-2-6-10-18/h1-14H,15,26H2,(H,27,28)
InChIKeyLBHXLBWQYFDOSU-UHFFFAOYSA-N
XLogP6.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.95
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze 2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide (CID 66551654) is 2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide is Nc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide?
The InChIKey is LBHXLBWQYFDOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2OS/c25-19-13-11-17(12-14-19)20-21(24(28)27-15-16-7-3-1-4-8-16)23(26)29-22(20)18-9-5-2-6-10-18/h1-14H,15,26H2,(H,27,28).
What are the key properties of 2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide?
2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide has a molecular weight of 418.95 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-4-(4-chlorophenyl)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 66551654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).