N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide

C18H23N3O3S — CID 24550322

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN(C)C)cc1
InChIInChI=1S/C18H23N3O3S/c1-19-25(23,24)17-10-8-14(9-11-17)18(22)20-12-15-6-4-5-7-16(15)13-21(2)3/h4-11,19H,12-13H2,1-3H3,(H,20,22)
InChIKeyXDJSFRWTJQYSHU-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.59
Rot. Bonds7

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide (PubChem CID 24550322) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
PubChem CID24550322
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN(C)C)cc1
InChIInChI=1S/C18H23N3O3S/c1-19-25(23,24)17-10-8-14(9-11-17)18(22)20-12-15-6-4-5-7-16(15)13-21(2)3/h4-11,19H,12-13H2,1-3H3,(H,20,22)
InChIKeyXDJSFRWTJQYSHU-UHFFFAOYSA-N
XLogP1.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
CID 55954957
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55395914
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 9069473
4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55694979
N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060135
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24550323
[2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 9073364
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787998
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24504740
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26447459
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide (CID 24550322) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN(C)C)cc1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide?
The InChIKey is XDJSFRWTJQYSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-19-25(23,24)17-10-8-14(9-11-17)18(22)20-12-15-6-4-5-7-16(15)13-21(2)3/h4-11,19H,12-13H2,1-3H3,(H,20,22).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide has a molecular weight of 361.47 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 24550322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).