N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide

C15H23NO2S — CID 103681477

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCC(C)(O)CSC)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-4-13(12-8-6-5-7-9-12)14(17)16-10-15(2,18)11-19-3/h5-9,13,18H,4,10-11H2,1-3H3,(H,16,17)
InChIKeyQMBRECOBUAXSAI-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.41
Rot. Bonds7

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide (PubChem CID 103681477) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide
PubChem CID103681477
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCC(C)(O)CSC)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-4-13(12-8-6-5-7-9-12)14(17)16-10-15(2,18)11-19-3/h5-9,13,18H,4,10-11H2,1-3H3,(H,16,17)
InChIKeyQMBRECOBUAXSAI-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide 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

2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide
CID 103772501
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
N-(5-chloro-2,2-dimethylpentyl)-2-phenylbutanamide
CID 106144537
1-(benzhydrylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 103948401
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2-phenylbutanamide
CID 119099245
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylpropanamide
CID 66174479
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide (CID 103681477) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide is CCC(C(=O)NCC(C)(O)CSC)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide?
The InChIKey is QMBRECOBUAXSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-13(12-8-6-5-7-9-12)14(17)16-10-15(2,18)11-19-3/h5-9,13,18H,4,10-11H2,1-3H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide has a molecular weight of 281.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide is sourced from PubChem (CID 103681477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).