2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide

C13H20N2O3S — CID 24702867

IUPAC2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide
SMILESCc1cc(C)cc(NC(=O)C(N)CCS(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O3S/c1-9-6-10(2)8-11(7-9)15-13(16)12(14)4-5-19(3,17)18/h6-8,12H,4-5,14H2,1-3H3,(H,15,16)
InChIKeySYOMPLPGXGJSHU-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.00
Rot. Bonds5

About 2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide

2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide (PubChem CID 24702867) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide
PubChem CID24702867
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide
SMILESCc1cc(C)cc(NC(=O)C(N)CCS(C)(=O)=O)c1
InChIInChI=1S/C13H20N2O3S/c1-9-6-10(2)8-11(7-9)15-13(16)12(14)4-5-19(3,17)18/h6-8,12H,4-5,14H2,1-3H3,(H,15,16)
InChIKeySYOMPLPGXGJSHU-UHFFFAOYSA-N
XLogP1.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
CID 43094521
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
2-amino-N-(3-fluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 24699608
2-amino-4-methylsulfonyl-N-(2,4,5-trichlorophenyl)butanamide
CID 43097188
2-amino-N-(3-iodophenyl)-4-methylsulfonylbutanamide
CID 43124627
2-amino-4-methylsulfonyl-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 119956480
2-amino-N-(5-bromo-2-methylphenyl)-4-methylsulfonylbutanamide
CID 43712537
2-amino-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylbutanamide
CID 119955895
2-amino-N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-methylsulfonylbutanamide
CID 119955890
4-[(2-amino-4-methylsulfonylbutanoyl)amino]-N-methylbenzamide
CID 43702745
2-amino-N-(4-bromo-2,6-difluorophenyl)-4-methylsulfonylbutanamide
CID 65469928
2-amino-N-(2,5-difluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 103586036

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide (CID 24702867) is 2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide is Cc1cc(C)cc(NC(=O)C(N)CCS(C)(=O)=O)c1.
What is the InChIKey of 2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide?
The InChIKey is SYOMPLPGXGJSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-6-10(2)8-11(7-9)15-13(16)12(14)4-5-19(3,17)18/h6-8,12H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide?
2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide has a molecular weight of 284.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 24702867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).