N-(benzylcarbamoyl)-2-methylsulfanylpropanamide

C12H16N2O2S — CID 47263081

IUPACN-(benzylcarbamoyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O2S/c1-9(17-2)11(15)14-12(16)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyJCBHDVFCJHASOY-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.76
Rot. Bonds4

About N-(benzylcarbamoyl)-2-methylsulfanylpropanamide

N-(benzylcarbamoyl)-2-methylsulfanylpropanamide (PubChem CID 47263081) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-methylsulfanylpropanamide
PubChem CID47263081
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(benzylcarbamoyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O2S/c1-9(17-2)11(15)14-12(16)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,13,14,15,16)
InChIKeyJCBHDVFCJHASOY-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740706
(2R)-N-(benzylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 8985972
N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 46789422
N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694
(2R)-N-(benzylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40665651
(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 40804725
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
(2S)-N-(benzylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
CID 8512732
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
(2S)-N-(benzylcarbamoyl)-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8954251
(2R)-N-(benzylcarbamoyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8553430
N-(benzylcarbamoyl)carbamoyl chloride
CID 10443184

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-methylsulfanylpropanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-methylsulfanylpropanamide (CID 47263081) is N-(benzylcarbamoyl)-2-methylsulfanylpropanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-methylsulfanylpropanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-methylsulfanylpropanamide is CSC(C)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-methylsulfanylpropanamide?
The InChIKey is JCBHDVFCJHASOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9(17-2)11(15)14-12(16)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(benzylcarbamoyl)-2-methylsulfanylpropanamide?
N-(benzylcarbamoyl)-2-methylsulfanylpropanamide has a molecular weight of 252.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 47263081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).