2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide

C13H20N2O3S — CID 81187306

IUPAC2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide
SMILESCc1cccc(S(=O)(=O)CC(=O)NCC(C)C)c1N
InChIInChI=1S/C13H20N2O3S/c1-9(2)7-15-12(16)8-19(17,18)11-6-4-5-10(3)13(11)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyIZITWZBEJAJHNH-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.12
Rot. Bonds5

About 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide

2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide (PubChem CID 81187306) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide
PubChem CID81187306
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide
SMILESCc1cccc(S(=O)(=O)CC(=O)NCC(C)C)c1N
InChIInChI=1S/C13H20N2O3S/c1-9(2)7-15-12(16)8-19(17,18)11-6-4-5-10(3)13(11)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyIZITWZBEJAJHNH-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
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-(2-aminophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 61368377
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175710
2-(2-amino-3-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 43438102
2-(3-ethylsulfonylpropylsulfonyl)-6-methylaniline
CID 81189069
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175778
2-(3-amino-2-methylphenyl)sulfonyl-N-ethylacetamide
CID 81190734
2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide
CID 71998712
2-(5-amino-2-methylphenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81191373
2-(2-tert-butylsulfonylethylsulfonyl)-6-methylaniline
CID 106735771
2-[2-(dimethylamino)ethylsulfonyl]-6-methylaniline
CID 81189641
2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide
CID 113404982
2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylbutan-2-yl)propanamide
CID 81187150

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide (CID 81187306) is 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide is Cc1cccc(S(=O)(=O)CC(=O)NCC(C)C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide?
The InChIKey is IZITWZBEJAJHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)7-15-12(16)8-19(17,18)11-6-4-5-10(3)13(11)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide?
2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 81187306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).