N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide

C21H21NOS — CID 46546277

IUPACN-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)sc1C
InChIInChI=1S/C21H21NOS/c1-15-14-19(24-16(15)2)21(23)22(3)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,20H,1-3H3
InChIKeyGRROMVICQIYPAB-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.23
Rot. Bonds4

About N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide

N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide (PubChem CID 46546277) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide
PubChem CID46546277
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC NameN-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)sc1C
InChIInChI=1S/C21H21NOS/c1-15-14-19(24-16(15)2)21(23)22(3)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,20H,1-3H3
InChIKeyGRROMVICQIYPAB-UHFFFAOYSA-N
XLogP5.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzhydryl-N,4,5-trimethylthiophene-2-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-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide?
The IUPAC name of N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide (CID 46546277) is N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide.
What is the SMILES notation for N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide?
The canonical SMILES for N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide is Cc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)sc1C.
What is the InChIKey of N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide?
The InChIKey is GRROMVICQIYPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-15-14-19(24-16(15)2)21(23)22(3)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,20H,1-3H3.
What are the key properties of N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide?
N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N,4,5-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 46546277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).