(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide

C13H18N2O2S — CID 94214694

IUPAC(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Sc1cccc(C)c1
InChIInChI=1S/C13H18N2O2S/c1-4-14-13(17)15-12(16)10(3)18-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H2,14,15,16,17)/t10-/m0/s1
InChIKeyIKRRCLIWFKZTIC-JTQLQIEISA-N
MW266.37 g/mol
LogP2.32
Rot. Bonds4

About (2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide

(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide (PubChem CID 94214694) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
PubChem CID94214694
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Sc1cccc(C)c1
InChIInChI=1S/C13H18N2O2S/c1-4-14-13(17)15-12(16)10(3)18-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H2,14,15,16,17)/t10-/m0/s1
InChIKeyIKRRCLIWFKZTIC-JTQLQIEISA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 47449275
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 66346878
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
N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 60594153
N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide
CID 56822525
N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide
CID 60594314
N-(ethylcarbamoyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62315197
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 51468554
N-(ethylcarbamoyl)-2-[(3-methylphenyl)methylamino]propanamide
CID 60734036
2-(3-hydroxyphenyl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 122141662

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide (CID 94214694) is (2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide is CCNC(=O)NC(=O)[C@H](C)Sc1cccc(C)c1.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
The InChIKey is IKRRCLIWFKZTIC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-4-14-13(17)15-12(16)10(3)18-11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H2,14,15,16,17)/t10-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide?
(2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide has a molecular weight of 266.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(ethylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 94214694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).