(2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide

C14H20N2O2S — CID 7799494

IUPAC(2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1c(C)cc(C)cc1C
InChIInChI=1S/C14H20N2O2S/c1-8-6-9(2)12(10(3)7-8)19-11(4)13(17)16-14(18)15-5/h6-7,11H,1-5H3,(H2,15,16,17,18)/t11-/m1/s1
InChIKeyZKSVAQGQHRUMEO-LLVKDONJSA-N
MW280.39 g/mol
LogP2.55
Rot. Bonds3

About (2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide

(2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide (PubChem CID 7799494) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
PubChem CID7799494
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1c(C)cc(C)cc1C
InChIInChI=1S/C14H20N2O2S/c1-8-6-9(2)12(10(3)7-8)19-11(4)13(17)16-14(18)15-5/h6-7,11H,1-5H3,(H2,15,16,17,18)/t11-/m1/s1
InChIKeyZKSVAQGQHRUMEO-LLVKDONJSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7458289
N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 47449275
(2S)-N-(4-acetamidophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 25496828
2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79147156
N-(2,5-dichlorophenyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 18207485
(2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 95318510
(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7743634
2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 43303759
2-(2-amino-5-bromophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79533451
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 45282097
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
2-(3-formylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 66356400

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide (CID 7799494) is (2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide is CNC(=O)NC(=O)[C@@H](C)Sc1c(C)cc(C)cc1C.
What is the InChIKey of (2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
The InChIKey is ZKSVAQGQHRUMEO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-8-6-9(2)12(10(3)7-8)19-11(4)13(17)16-14(18)15-5/h6-7,11H,1-5H3,(H2,15,16,17,18)/t11-/m1/s1.
What are the key properties of (2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide?
(2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 7799494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).