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

C12H16N2O2S — CID 47477226

IUPACN-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide
SMILESCNC(=O)NC(=O)CCSc1ccccc1C
InChIInChI=1S/C12H16N2O2S/c1-9-5-3-4-6-10(9)17-8-7-11(15)14-12(16)13-2/h3-6H,7-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyGFNSZOPKKUPTJW-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.93
Rot. Bonds4

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

N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide (PubChem CID 47477226) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide
PubChem CID47477226
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide
SMILESCNC(=O)NC(=O)CCSc1ccccc1C
InChIInChI=1S/C12H16N2O2S/c1-9-5-3-4-6-10(9)17-8-7-11(15)14-12(16)13-2/h3-6H,7-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyGFNSZOPKKUPTJW-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2592012
2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 2616380
N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 16196257
N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591947
N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591984
N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591998
N-(benzylcarbamoyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616192
N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2616369
3-Cyclopentyl-1-{2-[(2,5-dimethylphenyl)sulfanyl]acetyl}urea
CID 2639878
N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 2999687
2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2616328
N-methyl-3-[(4-methylphenyl)sulfanyl]propanamide
CID 848218

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide (CID 47477226) is N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide is CNC(=O)NC(=O)CCSc1ccccc1C.
What is the InChIKey of N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide?
The InChIKey is GFNSZOPKKUPTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9-5-3-4-6-10(9)17-8-7-11(15)14-12(16)13-2/h3-6H,7-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide?
N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide has a molecular weight of 252.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 47477226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).