N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide

C15H15NO2S — CID 94102437

IUPACN-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide
SMILESCN(C(=O)CCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H15NO2S/c1-16(12-6-3-2-4-7-12)15(18)10-9-13(17)14-8-5-11-19-14/h2-8,11H,9-10H2,1H3
InChIKeyJGLUNZWLVCIGGX-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.37
Rot. Bonds5

About N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide

N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide (PubChem CID 94102437) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide
PubChem CID94102437
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide
SMILESCN(C(=O)CCC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C15H15NO2S/c1-16(12-6-3-2-4-7-12)15(18)10-9-13(17)14-8-5-11-19-14/h2-8,11H,9-10H2,1H3
InChIKeyJGLUNZWLVCIGGX-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-4-oxo-N-phenyl-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-[3-[2-(N-methylanilino)ethylamino]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 24655114
N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide
CID 82118278
N-methyl-N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 78781706
N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 78781446
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
2-[(4-oxo-4-thiophen-2-ylbutanoyl)-propan-2-ylamino]acetic acid
CID 120580833
[2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2367156
N-[(2-chlorophenyl)methyl]-N-methyl-4-oxo-4-thiophen-2-ylbutanamide
CID 78768555
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402
N-(2-cyanoethyl)-N-methyl-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 60609811
N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide
CID 108796375

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide (CID 94102437) is N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide is CN(C(=O)CCC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide?
The InChIKey is JGLUNZWLVCIGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-16(12-6-3-2-4-7-12)15(18)10-9-13(17)14-8-5-11-19-14/h2-8,11H,9-10H2,1H3.
What are the key properties of N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide?
N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide has a molecular weight of 273.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 94102437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).