3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

C24H31N3O3S — CID 55705272

IUPAC3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2)C1
InChIInChI=1S/C24H31N3O3S/c1-18-4-3-13-27(16-18)17-20-9-7-19(8-10-20)15-25-24(28)21-5-2-6-23(14-21)31(29,30)26-22-11-12-22/h2,5-10,14,18,22,26H,3-4,11-13,15-17H2,1H3,(H,25,28)
InChIKeyJJSALXPADAWQDA-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.29
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 55705272) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID55705272
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2)C1
InChIInChI=1S/C24H31N3O3S/c1-18-4-3-13-27(16-18)17-20-9-7-19(8-10-20)15-25-24(28)21-5-2-6-23(14-21)31(29,30)26-22-11-12-22/h2,5-10,14,18,22,26H,3-4,11-13,15-17H2,1H3,(H,25,28)
InChIKeyJJSALXPADAWQDA-UHFFFAOYSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
3-(methanesulfonamido)-4-methyl-N-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 51948213
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55715197
N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39821970
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
3-(cyclohexylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109063365
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24504058
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46474057
4-(2-cyanoethylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46465715
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 43917952
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 55705272) is 3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is CC1CCCN(Cc2ccc(CNC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)cc2)C1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is JJSALXPADAWQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-18-4-3-13-27(16-18)17-20-9-7-19(8-10-20)15-25-24(28)21-5-2-6-23(14-21)31(29,30)26-22-11-12-22/h2,5-10,14,18,22,26H,3-4,11-13,15-17H2,1H3,(H,25,28).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 441.60 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 3-(cyclopropylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 55705272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).