3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide

C15H23NO2S — CID 110026435

IUPAC3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide
SMILESCCC(CSC)NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-4-13(11-19-3)16-14(17)10-15(2,18)12-8-6-5-7-9-12/h5-9,13,18H,4,10-11H2,1-3H3,(H,16,17)
InChIKeyVCFGQRDDSJGGFD-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.54
Rot. Bonds7

About 3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide

3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide (PubChem CID 110026435) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide
PubChem CID110026435
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide
SMILESCCC(CSC)NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C15H23NO2S/c1-4-13(11-19-3)16-14(17)10-15(2,18)12-8-6-5-7-9-12/h5-9,13,18H,4,10-11H2,1-3H3,(H,16,17)
InChIKeyVCFGQRDDSJGGFD-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
CID 110026094
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024356
3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
CID 110025280
N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide
CID 110025916
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024296
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide
CID 110025690
N-(2-butan-2-ylpyrazol-3-yl)-3-hydroxy-3-phenylbutanamide
CID 110025212
1-tert-butyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115899161
1-(1-methylsulfanylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 115638973

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide (CID 110026435) is 3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide is CCC(CSC)NC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide?
The InChIKey is VCFGQRDDSJGGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-13(11-19-3)16-14(17)10-15(2,18)12-8-6-5-7-9-12/h5-9,13,18H,4,10-11H2,1-3H3,(H,16,17).
What are the key properties of 3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide?
3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide has a molecular weight of 281.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide is sourced from PubChem (CID 110026435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).