N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide

C13H19NO2S — CID 66107710

IUPACN-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
SMILESCC(CCO)CNC(=O)CSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-11(7-8-15)9-14-13(16)10-17-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,14,16)
InChIKeyQKTHWEXNCWKVQS-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.91
Rot. Bonds7

About N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide

N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide (PubChem CID 66107710) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
PubChem CID66107710
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
SMILESCC(CCO)CNC(=O)CSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-11(7-8-15)9-14-13(16)10-17-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,14,16)
InChIKeyQKTHWEXNCWKVQS-UHFFFAOYSA-N
XLogP1.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide 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-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
CID 81479553
N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
N-(2-ethylbutyl)-2-phenylsulfanylacetamide
CID 115612630
5-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 82010497
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
CID 65032260
N-(3-hydroxy-2-methylpropyl)-4-phenylsulfanylbutanamide
CID 65036802
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
N-(5-chloro-4-methylpentyl)-2-phenylsulfanylacetamide
CID 106156966
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
4-[[2-(3-bromophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 120537124

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide (CID 66107710) is N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide is CC(CCO)CNC(=O)CSc1ccccc1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide?
The InChIKey is QKTHWEXNCWKVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11(7-8-15)9-14-13(16)10-17-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide?
N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide has a molecular weight of 253.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 66107710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).