2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide

C14H22N2O3S — CID 81191373

IUPAC2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide
SMILESCc1ccc(N)cc1S(=O)(=O)CC(=O)NCCC(C)C
InChIInChI=1S/C14H22N2O3S/c1-10(2)6-7-16-14(17)9-20(18,19)13-8-12(15)5-4-11(13)3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyLEPOPUMWXCVACW-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds6

About 2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide

2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide (PubChem CID 81191373) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide
PubChem CID81191373
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide
SMILESCc1ccc(N)cc1S(=O)(=O)CC(=O)NCCC(C)C
InChIInChI=1S/C14H22N2O3S/c1-10(2)6-7-16-14(17)9-20(18,19)13-8-12(15)5-4-11(13)3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyLEPOPUMWXCVACW-UHFFFAOYSA-N
XLogP1.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-methylphenyl)sulfonyl-N-butan-2-ylacetamide
CID 81191298
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
2-(5-amino-2-methylphenyl)sulfonyl-N-phenylacetamide
CID 81193245
2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 62113298
5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576401
2-(4-amino-2-methylphenyl)sulfonyl-N-(cyanomethyl)acetamide
CID 81193116
2-[(3-amino-2-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 61486701
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
2-[(5-amino-2-methylphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 61115794
2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81187306
N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112995226
2,4-diamino-N-(3-methylbutyl)benzamide
CID 61092536

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide (CID 81191373) is 2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide is Cc1ccc(N)cc1S(=O)(=O)CC(=O)NCCC(C)C.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide?
The InChIKey is LEPOPUMWXCVACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10(2)6-7-16-14(17)9-20(18,19)13-8-12(15)5-4-11(13)3/h4-5,8,10H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide?
2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 81191373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).