N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C26H35N3O4S — CID 55713960

IUPACN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C26H35N3O4S/c1-20-7-4-5-15-29(20)19-23-9-3-2-8-22(23)17-27-26(30)21-11-13-25(14-12-21)34(31,32)28-18-24-10-6-16-33-24/h2-3,8-9,11-14,20,24,28H,4-7,10,15-19H2,1H3,(H,27,30)
InChIKeyKASFIIUPPXTNOK-UHFFFAOYSA-N
MW485.65 g/mol
LogP3.45
Rot. Bonds9

About N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 55713960) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID55713960
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC NameN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C26H35N3O4S/c1-20-7-4-5-15-29(20)19-23-9-3-2-8-22(23)17-27-26(30)21-11-13-25(14-12-21)34(31,32)28-18-24-10-6-16-33-24/h2-3,8-9,11-14,20,24,28H,4-7,10,15-19H2,1H3,(H,27,30)
InChIKeyKASFIIUPPXTNOK-UHFFFAOYSA-N
XLogP3.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43003903
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428385
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1460149
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646172
N-(1,3-benzodioxol-5-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2946621

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 55713960) is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is CC1CCCCN1Cc1ccccc1CNC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is KASFIIUPPXTNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-20-7-4-5-15-29(20)19-23-9-3-2-8-22(23)17-27-26(30)21-11-13-25(14-12-21)34(31,32)28-18-24-10-6-16-33-24/h2-3,8-9,11-14,20,24,28H,4-7,10,15-19H2,1H3,(H,27,30).
What are the key properties of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 485.65 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55713960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).