N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide

C13H12ClNOS — CID 78802983

IUPACN-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccsc1
InChIInChI=1S/C13H12ClNOS/c1-15(13(16)11-6-7-17-9-11)8-10-4-2-3-5-12(10)14/h2-7,9H,8H2,1H3
InChIKeyODPDODDUTONMOF-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.67
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide

N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide (PubChem CID 78802983) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide
PubChem CID78802983
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccsc1
InChIInChI=1S/C13H12ClNOS/c1-15(13(16)11-6-7-17-9-11)8-10-4-2-3-5-12(10)14/h2-7,9H,8H2,1H3
InChIKeyODPDODDUTONMOF-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(2-chlorophenyl)methyl]-N-methylthiophene-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

Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]thiophene-3-carboxamide
CID 78803856
N-[(2-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzamide
CID 62242071
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide
CID 112790366
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 9383453
3-acetamido-N-[(2-chlorophenyl)methyl]-N-methylbenzamide
CID 7677286
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
N-[(2-chlorophenyl)methyl]-N,4-dimethyl-3,5-dinitrobenzamide
CID 27773993

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide (CID 78802983) is N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide is CN(Cc1ccccc1Cl)C(=O)c1ccsc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide?
The InChIKey is ODPDODDUTONMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-15(13(16)11-6-7-17-9-11)8-10-4-2-3-5-12(10)14/h2-7,9H,8H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide?
N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide has a molecular weight of 265.77 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 78802983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).