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

C24H39N3O4S — CID 11843356

IUPACN-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
SMILESCC(C)(CCC(N)=O)NC(=O)CCC(C)(C)NC(=O)CC(O)C(C)(C)Sc1ccccc1
InChIInChI=1S/C24H39N3O4S/c1-22(2,14-12-19(25)29)26-20(30)13-15-23(3,4)27-21(31)16-18(28)24(5,6)32-17-10-8-7-9-11-17/h7-11,18,28H,12-16H2,1-6H3,(H2,25,29)(H,26,30)(H,27,31)
InChIKeyGOIIPZRQXUHAAF-UHFFFAOYSA-N
MW465.66 g/mol
LogP3.14
Rot. Bonds13

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

N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide (PubChem CID 11843356) has the molecular formula C24H39N3O4S and a molecular weight of 465.66 g/mol. Its IUPAC name is N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide.

Molecular Properties

Compound NameN-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
PubChem CID11843356
Molecular FormulaC24H39N3O4S
Molecular Weight465.66 g/mol
Exact Mass465.27
IUPAC NameN-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
SMILESCC(C)(CCC(N)=O)NC(=O)CCC(C)(C)NC(=O)CC(O)C(C)(C)Sc1ccccc1
InChIInChI=1S/C24H39N3O4S/c1-22(2,14-12-19(25)29)26-20(30)13-15-23(3,4)27-21(31)16-18(28)24(5,6)32-17-10-8-7-9-11-17/h7-11,18,28H,12-16H2,1-6H3,(H2,25,29)(H,26,30)(H,27,31)
InChIKeyGOIIPZRQXUHAAF-UHFFFAOYSA-N
XLogP3.14
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.66
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide with MolForge

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Related Compounds

3-Hydroxy-4-methyl-4-phenylsulfanylpentanamide
CID 11843077
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
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-(1-amino-2-methyl-1-oxopropan-2-yl)-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide
CID 11843357
(2R,3R)-N-tert-butyl-3-hydroxy-2-(phenylsulfanylmethyl)octanamide
CID 101089538

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
The IUPAC name of 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) is N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide.
What is the SMILES notation for N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
The canonical SMILES for N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide is CC(C)(CCC(N)=O)NC(=O)CCC(C)(C)NC(=O)CC(O)C(C)(C)Sc1ccccc1.
What is the InChIKey of N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
The InChIKey is GOIIPZRQXUHAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4S/c1-22(2,14-12-19(25)29)26-20(30)13-15-23(3,4)27-21(31)16-18(28)24(5,6)32-17-10-8-7-9-11-17/h7-11,18,28H,12-16H2,1-6H3,(H2,25,29)(H,26,30)(H,27,31).
What are the key properties of N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide?
N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide has a molecular weight of 465.66 g/mol, XLogP of 3.14, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-amino-2-methyl-5-oxopentan-2-yl)amino]-2-methyl-5-oxopentan-2-yl]-3-hydroxy-4-methyl-4-phenylsulfanylpentanamide is sourced from PubChem (CID 11843356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).