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

C16H24N2O3S — CID 11843357

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

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

N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide (PubChem CID 11843357) 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)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
PubChem CID11843357
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
SMILESCC(C)(NC(=O)CC(O)C(C)(C)Sc1ccccc1)C(N)=O
InChIInChI=1S/C16H24N2O3S/c1-15(2,14(17)21)18-13(20)10-12(19)16(3,4)22-11-8-6-5-7-9-11/h5-9,12,19H,10H2,1-4H3,(H2,17,21)(H,18,20)
InChIKeyZHRCMLUDIHBQMQ-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

3-Hydroxy-4-methyl-4-phenylsulfanylpentanamide
CID 11843077
N-tert-butyl-3-hydroxy-2-(phenylsulfanylmethyl)octanamide
CID 10664707
Tert-butyl 4-[(3-hydroxy-4-methyl-4-phenylsulfanylpentanoyl)amino]-4-methylpentanoate
CID 11842914
4-[(3-Hydroxy-4-methyl-4-phenylsulfanylpentanoyl)amino]-4-methylpentanoic acid
CID 11842915
Tert-butyl 4-[[4-[(3-hydroxy-4-methyl-4-phenylsulfanylpentanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoate
CID 11842916
4-[[4-[(3-Hydroxy-4-methyl-4-phenylsulfanylpentanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 11843070
Methyl 4-[(3-hydroxy-4-methyl-4-phenylsulfanylpentanoyl)amino]-4-methylpentanoate
CID 11843229
N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
CID 11843230
Methyl 4-[[4-[(3-hydroxy-4-methyl-4-phenylsulfanylpentanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoate
CID 11843231
N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
CID 11843356
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-hydroxy-4-methyl-3-phenylsulfanylpentanamide
CID 11843360
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)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide (CID 11843357) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide is CC(C)(NC(=O)CC(O)C(C)(C)Sc1ccccc1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
The InChIKey is ZHRCMLUDIHBQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-15(2,14(17)21)18-13(20)10-12(19)16(3,4)22-11-8-6-5-7-9-11/h5-9,12,19H,10H2,1-4H3,(H2,17,21)(H,18,20).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-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)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide is sourced from PubChem (CID 11843357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).