N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide

C12H18N2O3S — CID 60883875

IUPACN-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide
SMILESCc1ccc(N)cc1NC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C12H18N2O3S/c1-8(2)18(16,17)7-12(15)14-11-6-10(13)5-4-9(11)3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyUZCLXXMNPZTUDD-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.34
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide

N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide (PubChem CID 60883875) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide
PubChem CID60883875
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide
SMILESCc1ccc(N)cc1NC(=O)CS(=O)(=O)C(C)C
InChIInChI=1S/C12H18N2O3S/c1-8(2)18(16,17)7-12(15)14-11-6-10(13)5-4-9(11)3/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyUZCLXXMNPZTUDD-UHFFFAOYSA-N
XLogP1.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.34
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

N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 120569314
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
N-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
CID 120568050
2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide
CID 114231835

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide (CID 60883875) is N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide is Cc1ccc(N)cc1NC(=O)CS(=O)(=O)C(C)C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide?
The InChIKey is UZCLXXMNPZTUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)18(16,17)7-12(15)14-11-6-10(13)5-4-9(11)3/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide?
N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide has a molecular weight of 270.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 60883875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).