N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide

C19H22N2O2S — CID 46789422

IUPACN-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NC(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C19H22N2O2S/c1-13-9-10-17(14(2)11-13)24-15(3)18(22)21-19(23)20-12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H2,20,21,22,23)
InChIKeySDPXVVIFUDSEIM-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.81
Rot. Bonds5

About N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide

N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 46789422) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
PubChem CID46789422
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NC(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C19H22N2O2S/c1-13-9-10-17(14(2)11-13)24-15(3)18(22)21-19(23)20-12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H2,20,21,22,23)
InChIKeySDPXVVIFUDSEIM-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458626
N-(benzylcarbamoyl)-2-methylsulfanylpropanamide
CID 47263081
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 46619422
(2R)-N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740706
(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616394
(2R)-N-(benzylcarbamoyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8553430
N-(benzylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanamide
CID 51236112
(2R)-N-(benzylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 8985972
(2S)-N-(benzylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
CID 8512732
N-(benzylcarbamoyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46622694
N-(benzylcarbamoyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 51236143
(2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 8734748

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide (CID 46789422) is N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)NC(=O)NCc2ccccc2)c(C)c1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is SDPXVVIFUDSEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-9-10-17(14(2)11-13)24-15(3)18(22)21-19(23)20-12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H2,20,21,22,23).
What are the key properties of N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 342.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 46789422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).