2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide

C15H24N2O3S — CID 119956480

IUPAC2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
SMILESCc1cc(C)c(CNC(=O)C(N)CCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-10-7-11(2)13(12(3)8-10)9-17-15(18)14(16)5-6-21(4,19)20/h7-8,14H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeyPRYIDDNDTUHFHH-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.99
Rot. Bonds6

About 2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide

2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide (PubChem CID 119956480) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
PubChem CID119956480
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
SMILESCc1cc(C)c(CNC(=O)C(N)CCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C15H24N2O3S/c1-10-7-11(2)13(12(3)8-10)9-17-15(18)14(16)5-6-21(4,19)20/h7-8,14H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeyPRYIDDNDTUHFHH-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-methylsulfonyl-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116552052
3-amino-4-oxo-4-[(2,4,6-trimethylphenyl)methylamino]butanoic acid
CID 115181303
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 120985346
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride
CID 120985345
2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide
CID 24702867
[4-[[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]methyl]phenyl]carbamic acid
CID 146417937
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-(aminomethyl)-3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115187544
2-amino-N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylbutanamide
CID 119955890
(2,4,6-trimethylphenyl)methylcarbamic acid
CID 67124074
2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61284119
2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide
CID 82881520

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide (CID 119956480) is 2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide is Cc1cc(C)c(CNC(=O)C(N)CCS(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
The InChIKey is PRYIDDNDTUHFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-7-11(2)13(12(3)8-10)9-17-15(18)14(16)5-6-21(4,19)20/h7-8,14H,5-6,9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide?
2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide has a molecular weight of 312.44 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide is sourced from PubChem (CID 119956480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).