2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide

C18H22N2O3S — CID 17408196

IUPAC2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-7-9-15(10-8-14)11-18(21)20-12-16-5-3-4-6-17(16)13-24(22,23)19-2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeySGUBFABJGOSJIY-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.90
Rot. Bonds7

About 2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide

2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 17408196) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID17408196
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-7-9-15(10-8-14)11-18(21)20-12-16-5-3-4-6-17(16)13-24(22,23)19-2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeySGUBFABJGOSJIY-UHFFFAOYSA-N
XLogP1.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17468980
2-[(4-methylphenyl)methylsulfanyl]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33452266
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 24644501
2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17466562
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]thiophene-3-carboxamide
CID 31942147
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 30888636
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-2-(2-phenylphenoxy)acetamide
CID 24560451
2-(3-methylphenoxy)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24554461
3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 18121351
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 24560469
2-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17419617

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide (CID 17408196) is 2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide is CNS(=O)(=O)Cc1ccccc1CNC(=O)Cc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is SGUBFABJGOSJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-7-9-15(10-8-14)11-18(21)20-12-16-5-3-4-6-17(16)13-24(22,23)19-2/h3-10,19H,11-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 346.45 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 17408196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).