N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide

C13H28N2O3S — CID 115613958

IUPACN-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
SMILESCCC(CC)CNC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-6-11(7-2)9-14-13(16)12(8-10(3)4)15-19(5,17)18/h10-12,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyXKOQNCUFXYRWDT-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.50
Rot. Bonds9

About N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide

N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide (PubChem CID 115613958) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
PubChem CID115613958
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
SMILESCCC(CC)CNC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-6-11(7-2)9-14-13(16)12(8-10(3)4)15-19(5,17)18/h10-12,15H,6-9H2,1-5H3,(H,14,16)
InChIKeyXKOQNCUFXYRWDT-UHFFFAOYSA-N
XLogP1.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103755898
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103824958
3-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427332
2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107832318
2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide
CID 113236515
(2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide
CID 10781140
2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide
CID 115410186
N-(1-hydroxy-4-methylpentan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 61245348

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide?
The IUPAC name of N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide (CID 115613958) is N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide.
What is the SMILES notation for N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide?
The canonical SMILES for N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide is CCC(CC)CNC(=O)C(CC(C)C)NS(C)(=O)=O.
What is the InChIKey of N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide?
The InChIKey is XKOQNCUFXYRWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-6-11(7-2)9-14-13(16)12(8-10(3)4)15-19(5,17)18/h10-12,15H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide?
N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide has a molecular weight of 292.44 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide is sourced from PubChem (CID 115613958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).