N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide

C24H31N3O3S — CID 60620575

IUPACN-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc1
InChIInChI=1S/C24H31N3O3S/c1-3-13-26-31(29,30)23-9-7-22(8-10-23)24(28)25-17-20-5-4-6-21(16-20)18-27-14-11-19(2)12-15-27/h3-10,16,19,26H,1,11-15,17-18H2,2H3,(H,25,28)
InChIKeyXCCURHMICUEIIU-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.31
Rot. Bonds9

About N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 60620575) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID60620575
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc1
InChIInChI=1S/C24H31N3O3S/c1-3-13-26-31(29,30)23-9-7-22(8-10-23)24(28)25-17-20-5-4-6-21(16-20)18-27-14-11-19(2)12-15-27/h3-10,16,19,26H,1,11-15,17-18H2,2H3,(H,25,28)
InChIKeyXCCURHMICUEIIU-UHFFFAOYSA-N
XLogP3.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918111
N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 25317177
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
3-(4-methylpiperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 46652326
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27809540
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide
CID 55814511
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 43917996
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99959632
4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 43917952

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 60620575) is N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(CN3CCC(C)CC3)c2)cc1.
What is the InChIKey of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is XCCURHMICUEIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-3-13-26-31(29,30)23-9-7-22(8-10-23)24(28)25-17-20-5-4-6-21(16-20)18-27-14-11-19(2)12-15-27/h3-10,16,19,26H,1,11-15,17-18H2,2H3,(H,25,28).
What are the key properties of N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 441.60 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 60620575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).