3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

C25H35N3O3S — CID 46478069

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2ccccc2CN2CCCCC2C)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C25H35N3O3S/c1-18-14-23(15-24(20(18)3)32(30,31)27(4)5)25(29)26-16-21-11-6-7-12-22(21)17-28-13-9-8-10-19(28)2/h6-7,11-12,14-15,19H,8-10,13,16-17H2,1-5H3,(H,26,29)
InChIKeyGGALXYVKACWHJF-UHFFFAOYSA-N
MW457.64 g/mol
LogP3.86
Rot. Bonds7

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 46478069) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID46478069
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCc1cc(C(=O)NCc2ccccc2CN2CCCCC2C)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C25H35N3O3S/c1-18-14-23(15-24(20(18)3)32(30,31)27(4)5)25(29)26-16-21-11-6-7-12-22(21)17-28-13-9-8-10-19(28)2/h6-7,11-12,14-15,19H,8-10,13,16-17H2,1-5H3,(H,26,29)
InChIKeyGGALXYVKACWHJF-UHFFFAOYSA-N
XLogP3.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518291
N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 51983604
4-chloro-3-(methanesulfonamido)-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 52514656
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 43043512
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55713960
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]benzamide
CID 94113676
4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 46478370
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 55718070
methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate
CID 78875789
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
1-(2,2-dimethylpropanoyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46470618

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 46478069) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is Cc1cc(C(=O)NCc2ccccc2CN2CCCCC2C)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is GGALXYVKACWHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-18-14-23(15-24(20(18)3)32(30,31)27(4)5)25(29)26-16-21-11-6-7-12-22(21)17-28-13-9-8-10-19(28)2/h6-7,11-12,14-15,19H,8-10,13,16-17H2,1-5H3,(H,26,29).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 457.64 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 46478069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).