2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide

C24H33N3O6S — CID 23600437

IUPAC2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
SMILESCOCCN(C)S(=O)(=O)N1CCC(CNC(=O)c2c(O)cccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C24H33N3O6S/c1-26(16-17-32-2)34(30,31)27-14-12-24(13-15-27,19-8-5-4-6-9-19)18-25-23(29)22-20(28)10-7-11-21(22)33-3/h4-11,28H,12-18H2,1-3H3,(H,25,29)
InChIKeyNQQDMYDIOXDZPN-UHFFFAOYSA-N
MW491.61 g/mol
LogP1.99
Rot. Bonds10

About 2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide

2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide (PubChem CID 23600437) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
PubChem CID23600437
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC Name2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
SMILESCOCCN(C)S(=O)(=O)N1CCC(CNC(=O)c2c(O)cccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C24H33N3O6S/c1-26(16-17-32-2)34(30,31)27-14-12-24(13-15-27,19-8-5-4-6-9-19)18-25-23(29)22-20(28)10-7-11-21(22)33-3/h4-11,28H,12-18H2,1-3H3,(H,25,29)
InChIKeyNQQDMYDIOXDZPN-UHFFFAOYSA-N
XLogP1.99
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(3-fluorophenyl)-1-[2-hydroxyethyl(methyl)sulfamoyl]piperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 23600971
N-[[4-(3-fluorophenyl)-1-(2-methylimidazol-1-yl)sulfonylpiperidin-4-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 23600975
5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide
CID 22241034
N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040
N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 58596001
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 22240827
N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide
CID 23600982
(5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide
CID 142821373
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 58596000
2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 143258720

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide (CID 23600437) is 2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide is COCCN(C)S(=O)(=O)N1CCC(CNC(=O)c2c(O)cccc2OC)(c2ccccc2)CC1.
What is the InChIKey of 2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
The InChIKey is NQQDMYDIOXDZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-26(16-17-32-2)34(30,31)27-14-12-24(13-15-27,19-8-5-4-6-9-19)18-25-23(29)22-20(28)10-7-11-21(22)33-3/h4-11,28H,12-18H2,1-3H3,(H,25,29).
What are the key properties of 2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide has a molecular weight of 491.61 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 23600437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).