(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide

C13H18N2O2S — CID 7458289

IUPAC(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1cc(C)ccc1C
InChIInChI=1S/C13H18N2O2S/c1-8-5-6-9(2)11(7-8)18-10(3)12(16)15-13(17)14-4/h5-7,10H,1-4H3,(H2,14,15,16,17)/t10-/m1/s1
InChIKeyCGSFLBSMXHKOLA-SNVBAGLBSA-N
MW266.37 g/mol
LogP2.24
Rot. Bonds3

About (2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide

(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 7458289) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID7458289
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1cc(C)ccc1C
InChIInChI=1S/C13H18N2O2S/c1-8-5-6-9(2)11(7-8)18-10(3)12(16)15-13(17)14-4/h5-7,10H,1-4H3,(H2,14,15,16,17)/t10-/m1/s1
InChIKeyCGSFLBSMXHKOLA-SNVBAGLBSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(methylcarbamoyl)-2-(2,4,6-trimethylphenyl)sulfanylpropanamide
CID 7799494
N-(methylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 47449275
N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanylpropanamide
CID 78765452
2-(2,5-dimethylphenyl)sulfanylpropanoic acid
CID 16785629
2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79147156
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788596
2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 43303759
(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616394
(2R)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 7896158
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 45282097
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
2-(2-amino-5-bromophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79533451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 7458289) is (2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)Sc1cc(C)ccc1C.
What is the InChIKey of (2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is CGSFLBSMXHKOLA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-5-6-9(2)11(7-8)18-10(3)12(16)15-13(17)14-4/h5-7,10H,1-4H3,(H2,14,15,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 266.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 7458289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).