N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide

C18H28N2O3S — CID 11843230

IUPACN-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
SMILESCC(C)(CCC(N)=O)NC(=O)CC(O)C(C)(C)Sc1ccccc1
InChIInChI=1S/C18H28N2O3S/c1-17(2,11-10-15(19)22)20-16(23)12-14(21)18(3,4)24-13-8-6-5-7-9-13/h5-9,14,21H,10-12H2,1-4H3,(H2,19,22)(H,20,23)
InChIKeyFHSMZBXWPICWJJ-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.47
Rot. Bonds9

About N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide

N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide (PubChem CID 11843230) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide.

Molecular Properties

Compound NameN-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
PubChem CID11843230
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
SMILESCC(C)(CCC(N)=O)NC(=O)CC(O)C(C)(C)Sc1ccccc1
InChIInChI=1S/C18H28N2O3S/c1-17(2,11-10-15(19)22)20-16(23)12-14(21)18(3,4)24-13-8-6-5-7-9-13/h5-9,14,21H,10-12H2,1-4H3,(H2,19,22)(H,20,23)
InChIKeyFHSMZBXWPICWJJ-UHFFFAOYSA-N
XLogP2.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Butylphenyl)sulfanyl-3-hydroxy-4-methylpentanamide
CID 11842911
3-Hydroxy-4-methyl-4-phenylsulfanylpentanamide
CID 11843077
3-Hydroxy-4-methyl-4-(4-methylphenyl)sulfanylpentanamide
CID 11843224
N-tert-butyl-3-hydroxy-2-(phenylsulfanylmethyl)octanamide
CID 10664707
CID 11090857
CID 11090857
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
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

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
The IUPAC name of N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide (CID 11843230) is N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide.
What is the SMILES notation for N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
The canonical SMILES for N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide is CC(C)(CCC(N)=O)NC(=O)CC(O)C(C)(C)Sc1ccccc1.
What is the InChIKey of N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
The InChIKey is FHSMZBXWPICWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-17(2,11-10-15(19)22)20-16(23)12-14(21)18(3,4)24-13-8-6-5-7-9-13/h5-9,14,21H,10-12H2,1-4H3,(H2,19,22)(H,20,23).
What are the key properties of N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide has a molecular weight of 352.50 g/mol, XLogP of 2.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methyl-5-oxopentan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide is sourced from PubChem (CID 11843230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).