3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide

C15H17NOS — CID 31250662

IUPAC3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccccc1CCNC(=O)c1sccc1C
InChIInChI=1S/C15H17NOS/c1-11-5-3-4-6-13(11)7-9-16-15(17)14-12(2)8-10-18-14/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
InChIKeyMHTREZNYFCCPOD-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.34
Rot. Bonds4

About 3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide

3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 31250662) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID31250662
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccccc1CCNC(=O)c1sccc1C
InChIInChI=1S/C15H17NOS/c1-11-5-3-4-6-13(11)7-9-16-15(17)14-12(2)8-10-18-14/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
InChIKeyMHTREZNYFCCPOD-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-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

Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 31115178
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 27646619
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 51319097
3-[2-[(3-methylthiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 63795456
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008807
N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119505169
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
N-(5-iodopentyl)-3-methylthiophene-2-carboxamide
CID 107322386
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
3-methyl-N-phenacylthiophene-2-carboxamide
CID 64991702

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide (CID 31250662) is 3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide is Cc1ccccc1CCNC(=O)c1sccc1C.
What is the InChIKey of 3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is MHTREZNYFCCPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-5-3-4-6-13(11)7-9-16-15(17)14-12(2)8-10-18-14/h3-6,8,10H,7,9H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 31250662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).