N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide

C16H24N2O3S — CID 11843360

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide
SMILESCC(C)(NC(=O)CC(Sc1ccccc1)C(C)(C)O)C(N)=O
InChIInChI=1S/C16H24N2O3S/c1-15(2,14(17)20)18-13(19)10-12(16(3,4)21)22-11-8-6-5-7-9-11/h5-9,12,21H,10H2,1-4H3,(H2,17,20)(H,18,19)
InChIKeyCTGXQDGGDAQARQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.69
Rot. Bonds7

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide (PubChem CID 11843360) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide
PubChem CID11843360
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide
SMILESCC(C)(NC(=O)CC(Sc1ccccc1)C(C)(C)O)C(N)=O
InChIInChI=1S/C16H24N2O3S/c1-15(2,14(17)20)18-13(19)10-12(16(3,4)21)22-11-8-6-5-7-9-11/h5-9,12,21H,10H2,1-4H3,(H2,17,20)(H,18,19)
InChIKeyCTGXQDGGDAQARQ-UHFFFAOYSA-N
XLogP1.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,4-Difluorophenyl)sulfanylacetyl]amino]-2,4-dimethylpentanamide
CID 60291553
5,5,10,10-Tetramethyl-4-phenylsulfanyl-1,6-diazecane-2,7-dione
CID 11843071
4-Hydroxy-4-methyl-3-phenylsulfanylpentanamide
CID 11843078
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
CID 11843357
3,3,8,8-Tetramethyl-7-phenylsulfanyl-1,4-diazocane-2,5-dione
CID 11843359
2-Methyl-2-[(2-phenylsulfanylacetyl)amino]pentanoic acid
CID 43618753
2-Methyl-2-(4-phenylsulfanylbutanoylamino)pentanoic acid
CID 43618802
2-Methyl-2-(3-phenylsulfanylpropanoylamino)pentanoic acid
CID 43618946
2-amino-2-methyl-N-(2-phenylsulfanylethyl)pentanamide
CID 54881079
N-tert-butyl-2-[methyl(2-phenylsulfanylethyl)amino]pentanamide
CID 56850010
N-tert-butyl-2-(2-phenylsulfanylethylamino)pentanamide
CID 56850159
2,4-Dimethyl-2-[(2-phenylsulfanylacetyl)amino]pentanamide
CID 60291629

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide (CID 11843360) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide is CC(C)(NC(=O)CC(Sc1ccccc1)C(C)(C)O)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide?
The InChIKey is CTGXQDGGDAQARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-15(2,14(17)20)18-13(19)10-12(16(3,4)21)22-11-8-6-5-7-9-11/h5-9,12,21H,10H2,1-4H3,(H2,17,20)(H,18,19).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide has a molecular weight of 324.45 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide is sourced from PubChem (CID 11843360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).