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

C15H24N2O3S — CID 119793659

IUPAC2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(CS(C)(=O)=O)c1C
InChIInChI=1S/C15H24N2O3S/c1-5-10(2)14(16)15(18)17-13-8-6-7-12(11(13)3)9-21(4,19)20/h6-8,10,14H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyCNPDDCZZXUHWKX-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.85
Rot. Bonds6

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

2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide (PubChem CID 119793659) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide
PubChem CID119793659
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1cccc(CS(C)(=O)=O)c1C
InChIInChI=1S/C15H24N2O3S/c1-5-10(2)14(16)15(18)17-13-8-6-7-12(11(13)3)9-21(4,19)20/h6-8,10,14H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyCNPDDCZZXUHWKX-UHFFFAOYSA-N
XLogP1.85
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
(2S)-2-amino-N-(3-bromo-2-methylphenyl)-3-methylpentanamide
CID 103832917
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylbenzamide
CID 61180394
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
N-[3-[(2-amino-3-methylpentanoyl)amino]-2-methylphenyl]benzamide;hydrochloride
CID 119740914
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
2-amino-3-methyl-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119870106
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide (CID 119793659) is 2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide is CCC(C)C(N)C(=O)Nc1cccc(CS(C)(=O)=O)c1C.
What is the InChIKey of 2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide?
The InChIKey is CNPDDCZZXUHWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-10(2)14(16)15(18)17-13-8-6-7-12(11(13)3)9-21(4,19)20/h6-8,10,14H,5,9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide?
2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide has a molecular weight of 312.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide is sourced from PubChem (CID 119793659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).