3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide

C14H13NO2S — CID 82121213

IUPAC3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCC(=O)c2cccs2)c1
InChIInChI=1S/C14H13NO2S/c1-10-4-2-5-11(8-10)14(17)15-9-12(16)13-6-3-7-18-13/h2-8H,9H2,1H3,(H,15,17)
InChIKeyJRIRWGMSFZAUFB-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.67
Rot. Bonds4

About 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide

3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide (PubChem CID 82121213) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
PubChem CID82121213
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCC(=O)c2cccs2)c1
InChIInChI=1S/C14H13NO2S/c1-10-4-2-5-11(8-10)14(17)15-9-12(16)13-6-3-7-18-13/h2-8H,9H2,1H3,(H,15,17)
InChIKeyJRIRWGMSFZAUFB-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide 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

1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 90363401
3-methyl-N-phenacylbenzamide
CID 3417494
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 13105423
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 112503925
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
CID 70795612
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
N-[3-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55817668
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide (CID 82121213) is 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide is Cc1cccc(C(=O)NCC(=O)c2cccs2)c1.
What is the InChIKey of 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The InChIKey is JRIRWGMSFZAUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-10-4-2-5-11(8-10)14(17)15-9-12(16)13-6-3-7-18-13/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide has a molecular weight of 259.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 82121213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).