N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide

C16H17NO2S — CID 9104484

IUPACN-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccccc1CNC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C16H17NO2S/c1-12-5-2-3-6-13(12)11-17-16(19)9-8-14(18)15-7-4-10-20-15/h2-7,10H,8-9,11H2,1H3,(H,17,19)
InChIKeyGEZVDGLSHPNVBP-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.34
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 9104484) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID9104484
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1ccccc1CNC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C16H17NO2S/c1-12-5-2-3-6-13(12)11-17-16(19)9-8-14(18)15-7-4-10-20-15/h2-7,10H,8-9,11H2,1H3,(H,17,19)
InChIKeyGEZVDGLSHPNVBP-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide 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-(ethoxymethyl)phenyl]methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 43062586
N-[(3-fluoro-4-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 34314674
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 40678703
N-methyl-N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 78781706
4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide
CID 9104803
4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-thiophen-2-ylbutanamide
CID 27782894
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046
N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
4-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide
CID 108743971
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722
N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 18114572
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 9104484) is N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide is Cc1ccccc1CNC(=O)CCC(=O)c1cccs1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is GEZVDGLSHPNVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-5-2-3-6-13(12)11-17-16(19)9-8-14(18)15-7-4-10-20-15/h2-7,10H,8-9,11H2,1H3,(H,17,19).
What are the key properties of N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 287.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 9104484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).