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

C23H31N3O3S — CID 55954957

IUPACN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN(C)C2CCCCC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-24-30(28,29)22-14-12-18(13-15-22)23(27)25-16-19-8-6-7-9-20(19)17-26(2)21-10-4-3-5-11-21/h6-9,12-15,21,24H,3-5,10-11,16-17H2,1-2H3,(H,25,27)
InChIKeyPXFJURPNNOKUBR-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.29
Rot. Bonds8

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

N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide (PubChem CID 55954957) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
PubChem CID55954957
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN(C)C2CCCCC2)cc1
InChIInChI=1S/C23H31N3O3S/c1-24-30(28,29)22-14-12-18(13-15-22)23(27)25-16-19-8-6-7-9-20(19)17-26(2)21-10-4-3-5-11-21/h6-9,12-15,21,24H,3-5,10-11,16-17H2,1-2H3,(H,25,27)
InChIKeyPXFJURPNNOKUBR-UHFFFAOYSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
CID 24550322
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-nitrobenzamide
CID 52719201
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55395914
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 46554834
3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
CID 120612656
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119861656
3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119861630
1-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]urea
CID 52504194
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46628535
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55694979
4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 33332114

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide (CID 55954957) is N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN(C)C2CCCCC2)cc1.
What is the InChIKey of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide?
The InChIKey is PXFJURPNNOKUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-24-30(28,29)22-14-12-18(13-15-22)23(27)25-16-19-8-6-7-9-20(19)17-26(2)21-10-4-3-5-11-21/h6-9,12-15,21,24H,3-5,10-11,16-17H2,1-2H3,(H,25,27).
What are the key properties of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide?
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55954957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).