N-butyl-2,4-diphenylthiophene-3-carboxamide

C21H21NOS — CID 102375157

IUPACN-butyl-2,4-diphenylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1c(-c2ccccc2)csc1-c1ccccc1
InChIInChI=1S/C21H21NOS/c1-2-3-14-22-21(23)19-18(16-10-6-4-7-11-16)15-24-20(19)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,22,23)
InChIKeyVVIWWKPWZODFQG-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.61
Rot. Bonds6

About N-butyl-2,4-diphenylthiophene-3-carboxamide

N-butyl-2,4-diphenylthiophene-3-carboxamide (PubChem CID 102375157) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is N-butyl-2,4-diphenylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2,4-diphenylthiophene-3-carboxamide
PubChem CID102375157
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC NameN-butyl-2,4-diphenylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1c(-c2ccccc2)csc1-c1ccccc1
InChIInChI=1S/C21H21NOS/c1-2-3-14-22-21(23)19-18(16-10-6-4-7-11-16)15-24-20(19)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,22,23)
InChIKeyVVIWWKPWZODFQG-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2,4-diphenylthiophene-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 N-butyl-2,4-diphenylthiophene-3-carboxamide?
The IUPAC name of N-butyl-2,4-diphenylthiophene-3-carboxamide (CID 102375157) is N-butyl-2,4-diphenylthiophene-3-carboxamide.
What is the SMILES notation for N-butyl-2,4-diphenylthiophene-3-carboxamide?
The canonical SMILES for N-butyl-2,4-diphenylthiophene-3-carboxamide is CCCCNC(=O)c1c(-c2ccccc2)csc1-c1ccccc1.
What is the InChIKey of N-butyl-2,4-diphenylthiophene-3-carboxamide?
The InChIKey is VVIWWKPWZODFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-2-3-14-22-21(23)19-18(16-10-6-4-7-11-16)15-24-20(19)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,22,23).
What are the key properties of N-butyl-2,4-diphenylthiophene-3-carboxamide?
N-butyl-2,4-diphenylthiophene-3-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,4-diphenylthiophene-3-carboxamide is sourced from PubChem (CID 102375157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).