N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide

C13H20N2O3S — CID 60885159

IUPACN-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
SMILESCc1cc(N)ccc1NC(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C13H20N2O3S/c1-9(2)19(17,18)7-6-13(16)15-12-5-4-11(14)8-10(12)3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyWWJGGJJFKGUZHU-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.73
Rot. Bonds5

About N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide

N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide (PubChem CID 60885159) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
PubChem CID60885159
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
SMILESCc1cc(N)ccc1NC(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C13H20N2O3S/c1-9(2)19(17,18)7-6-13(16)15-12-5-4-11(14)8-10(12)3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyWWJGGJJFKGUZHU-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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-(5-amino-2-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884523
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884521
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide
CID 60883875
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
CID 107770540
N-(4-amino-2-methylphenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 16783001
N-(2,4-dimethylphenyl)-3-sulfamoylpropanamide
CID 167944439

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide (CID 60885159) is N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide is Cc1cc(N)ccc1NC(=O)CCS(=O)(=O)C(C)C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide?
The InChIKey is WWJGGJJFKGUZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)19(17,18)7-6-13(16)15-12-5-4-11(14)8-10(12)3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide?
N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide has a molecular weight of 284.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 60885159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).