4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide

C11H16N2O3S — CID 54932022

IUPAC4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCc1cc(C(=O)NCCS(C)(=O)=O)ccc1N
InChIInChI=1S/C11H16N2O3S/c1-8-7-9(3-4-10(8)12)11(14)13-5-6-17(2,15)16/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyJODQGYLOBKMKMT-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.35
Rot. Bonds4

About 4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide

4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 54932022) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID54932022
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCc1cc(C(=O)NCCS(C)(=O)=O)ccc1N
InChIInChI=1S/C11H16N2O3S/c1-8-7-9(3-4-10(8)12)11(14)13-5-6-17(2,15)16/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyJODQGYLOBKMKMT-UHFFFAOYSA-N
XLogP0.35
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.35
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

4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 63211458
4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 61248489
3-bromo-4-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 79466574
4-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbenzamide
CID 83109029
4-amino-3-methyl-N-octylbenzamide
CID 115565914
3-bromo-4-methyl-N-(2-sulfamoylethyl)benzamide
CID 71982585
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
(E)-3-[2-methyl-5-(2-methylsulfonylethylcarbamoyl)phenyl]prop-2-enoic acid
CID 81460577
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639
3-amino-N-[2-(2-chloroethylsulfonyl)ethyl]-4-methylbenzamide
CID 19830172
2,3-dimethyl-5-(2-methylsulfonylethylcarbamoyl)benzenesulfonyl chloride
CID 65370576

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide (CID 54932022) is 4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide is Cc1cc(C(=O)NCCS(C)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is JODQGYLOBKMKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-7-9(3-4-10(8)12)11(14)13-5-6-17(2,15)16/h3-4,7H,5-6,12H2,1-2H3,(H,13,14).
What are the key properties of 4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide?
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 256.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 54932022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).