2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide

C15H24N2O4S — CID 119763991

IUPAC2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O4S/c1-4-11(2)14(16)15(18)17-12-6-5-7-13(10-12)21-8-9-22(3,19)20/h5-7,10-11,14H,4,8-9,16H2,1-3H3,(H,17,18)
InChIKeyJBVFHZZIJBSOPT-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.42
Rot. Bonds8

About 2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide

2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide (PubChem CID 119763991) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide
PubChem CID119763991
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O4S/c1-4-11(2)14(16)15(18)17-12-6-5-7-13(10-12)21-8-9-22(3,19)20/h5-7,10-11,14H,4,8-9,16H2,1-3H3,(H,17,18)
InChIKeyJBVFHZZIJBSOPT-UHFFFAOYSA-N
XLogP1.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
CID 119886968
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide
CID 119702060
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933
3-(2-aminophenyl)-N-[3-(2-methylsulfonylethoxy)phenyl]propanamide;hydrochloride
CID 120610173
2-amino-N-(3-methoxyphenyl)-4-methylsulfonylbutanamide
CID 24711240
(2S)-2-amino-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284739
2-amino-N-[3-(3-cyanopropoxy)phenyl]-3-methylbutanamide
CID 60927001
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide (CID 119763991) is 2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide is CCC(C)C(N)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1.
What is the InChIKey of 2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide?
The InChIKey is JBVFHZZIJBSOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-11(2)14(16)15(18)17-12-6-5-7-13(10-12)21-8-9-22(3,19)20/h5-7,10-11,14H,4,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide?
2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide has a molecular weight of 328.43 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide is sourced from PubChem (CID 119763991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).