N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide

C12H16N2O2S — CID 47449275

IUPACN-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
SMILESCNC(=O)NC(=O)C(C)Sc1cccc(C)c1
InChIInChI=1S/C12H16N2O2S/c1-8-5-4-6-10(7-8)17-9(2)11(15)14-12(16)13-3/h4-7,9H,1-3H3,(H2,13,14,15,16)
InChIKeyOYMYSDIVLBFFTM-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.93
Rot. Bonds3

About N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide

N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide (PubChem CID 47449275) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
PubChem CID47449275
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
SMILESCNC(=O)NC(=O)C(C)Sc1cccc(C)c1
InChIInChI=1S/C12H16N2O2S/c1-8-5-4-6-10(7-8)17-9(2)11(15)14-12(16)13-3/h4-7,9H,1-3H3,(H2,13,14,15,16)
InChIKeyOYMYSDIVLBFFTM-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide 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

(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214694
(2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 95318510
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
2-(3-methylphenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 60594345
(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214646
2-(3-formylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 66356400
(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7458289
N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 60594153
(2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 7799494
2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79147156
(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
CID 7817429
N-(methylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51141957

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide (CID 47449275) is N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide is CNC(=O)NC(=O)C(C)Sc1cccc(C)c1.
What is the InChIKey of N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
The InChIKey is OYMYSDIVLBFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8-5-4-6-10(7-8)17-9(2)11(15)14-12(16)13-3/h4-7,9H,1-3H3,(H2,13,14,15,16).
What are the key properties of N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide has a molecular weight of 252.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 47449275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).