N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide

C11H16N2O3S — CID 61024834

IUPACN-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-7-4-5-9(12)6-10(7)13-11(14)8(2)17(3,15)16/h4-6,8H,12H2,1-3H3,(H,13,14)
InChIKeyMHVWBEYLGOCCNG-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.95
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide

N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide (PubChem CID 61024834) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
PubChem CID61024834
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
SMILESCc1ccc(N)cc1NC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C11H16N2O3S/c1-7-4-5-9(12)6-10(7)13-11(14)8(2)17(3,15)16/h4-6,8H,12H2,1-3H3,(H,13,14)
InChIKeyMHVWBEYLGOCCNG-UHFFFAOYSA-N
XLogP0.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.95
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

(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
CID 94024925
N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide
CID 104667456
N-(5-amino-2-methylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79843396
N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
N-(5-amino-2-methylphenyl)-2-propan-2-ylsulfonylacetamide
CID 60883875
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide
CID 61302835
N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfonylpropanamide
CID 61024285
N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 120569069
N-(5-amino-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 62408592
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide (CID 61024834) is N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide is Cc1ccc(N)cc1NC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide?
The InChIKey is MHVWBEYLGOCCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-4-5-9(12)6-10(7)13-11(14)8(2)17(3,15)16/h4-6,8H,12H2,1-3H3,(H,13,14).
What are the key properties of N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide?
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide has a molecular weight of 256.33 g/mol, XLogP of 0.95, 3 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-methylsulfonylpropanamide is sourced from PubChem (CID 61024834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).