(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide

C12H16N2O2S — CID 2616394

IUPAC(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)NC(N)=O)c(C)c1
InChIInChI=1S/C12H16N2O2S/c1-7-4-5-10(8(2)6-7)17-9(3)11(15)14-12(13)16/h4-6,9H,1-3H3,(H3,13,14,15,16)/t9-/m0/s1
InChIKeyPOLDDDHGGPVCGA-VIFPVBQESA-N
MW252.34 g/mol
LogP1.98
Rot. Bonds3

About (2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide

(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 2616394) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
PubChem CID2616394
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@@H](C)C(=O)NC(N)=O)c(C)c1
InChIInChI=1S/C12H16N2O2S/c1-7-4-5-10(8(2)6-7)17-9(3)11(15)14-12(13)16/h4-6,9H,1-3H3,(H3,13,14,15,16)/t9-/m0/s1
InChIKeyPOLDDDHGGPVCGA-VIFPVBQESA-N
XLogP1.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734713
N-carbamoyl-2-(3-methylphenyl)sulfanylpropanamide
CID 47449269
N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 43187468
(2S)-N-(4-acetamidophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458509
(2S)-N-(2,6-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734738
N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 46789422
(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 7870866
(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458626
(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870554
(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7458289
(2S)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616315
(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616316

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide (CID 2616394) is (2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(S[C@@H](C)C(=O)NC(N)=O)c(C)c1.
What is the InChIKey of (2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is POLDDDHGGPVCGA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-7-4-5-10(8(2)6-7)17-9(3)11(15)14-12(13)16/h4-6,9H,1-3H3,(H3,13,14,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide?
(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 252.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2616394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).