N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide

C14H21NO2S — CID 102673901

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-11(2)18-10-14(17)15-13(9-16)8-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyKCRHJVNPMRXYOY-ZDUSSCGKSA-N
MW267.39 g/mol
LogP1.85
Rot. Bonds7

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide (PubChem CID 102673901) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide
PubChem CID102673901
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-11(2)18-10-14(17)15-13(9-16)8-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyKCRHJVNPMRXYOY-ZDUSSCGKSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide 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

N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
2-(cyanomethylsulfanyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 114010121
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 114010279
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
2-(butan-2-ylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261541
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
CID 107861443
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide (CID 102673901) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide?
The InChIKey is KCRHJVNPMRXYOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(2)18-10-14(17)15-13(9-16)8-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,15,17)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide has a molecular weight of 267.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 102673901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).