N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide

C19H24N2O3S — CID 38123838

IUPACN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)17-8-10-18(11-9-17)19(22)21-12-15-4-6-16(7-5-15)13-25(23,24)20-3/h4-11,14,20H,12-13H2,1-3H3,(H,21,22)
InChIKeyWMWIJRKQJLYENN-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.79
Rot. Bonds7

About N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide (PubChem CID 38123838) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
PubChem CID38123838
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(2)17-8-10-18(11-9-17)19(22)21-12-15-4-6-16(7-5-15)13-25(23,24)20-3/h4-11,14,20H,12-13H2,1-3H3,(H,21,22)
InChIKeyWMWIJRKQJLYENN-UHFFFAOYSA-N
XLogP2.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122539
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
3-fluoro-4-methyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 33118512
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560231
4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55758428
2,4-dimethyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122928
4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 63525830
1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea
CID 46486002
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide (CID 38123838) is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide?
The InChIKey is WMWIJRKQJLYENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14(2)17-8-10-18(11-9-17)19(22)21-12-15-4-6-16(7-5-15)13-25(23,24)20-3/h4-11,14,20H,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide?
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide has a molecular weight of 360.48 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 38123838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).