N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide

C13H19NO2S — CID 43390276

IUPACN-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
SMILESCCC(CO)NC(=O)CCSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-2-11(10-15)14-13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H,14,16)
InChIKeyLFYLAKOUFLGOCR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.06
Rot. Bonds7

About N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide

N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide (PubChem CID 43390276) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
PubChem CID43390276
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
SMILESCCC(CO)NC(=O)CCSc1ccccc1
InChIInChI=1S/C13H19NO2S/c1-2-11(10-15)14-13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H,14,16)
InChIKeyLFYLAKOUFLGOCR-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide 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-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
CID 65315150
3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920317
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
CID 61246212
3-(2-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)propanamide
CID 43390274
3-(2-fluorophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 93041484
1-(1-hydroxybutan-2-yl)-3-(2-phenylsulfanylethyl)urea
CID 110892414
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 79253088
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973
methyl 3-hydroxy-2-(3-phenylsulfanylpropanoylamino)propanoate
CID 43405741
N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
CID 93032349
2-(4-chlorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390409

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide (CID 43390276) is N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide is CCC(CO)NC(=O)CCSc1ccccc1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide?
The InChIKey is LFYLAKOUFLGOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-11(10-15)14-13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H,14,16).
What are the key properties of N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide?
N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 43390276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).