2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide

C25H33N3O5S — CID 58596000

IUPAC2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCN(S(=O)(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C25H33N3O5S/c1-32-23-12-6-5-11-22(23)24(29)26-19-25(20-8-3-2-4-9-20)13-15-28(16-14-25)34(30,31)27-18-21-10-7-17-33-21/h2-6,8-9,11-12,21,27H,7,10,13-19H2,1H3,(H,26,29)/t21-/m1/s1
InChIKeyZFHDKSPNLJOSOA-OAQYLSRUSA-N
MW487.62 g/mol
LogP2.47
Rot. Bonds9

About 2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide

2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide (PubChem CID 58596000) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
PubChem CID58596000
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Name2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCN(S(=O)(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C25H33N3O5S/c1-32-23-12-6-5-11-22(23)24(29)26-19-25(20-8-3-2-4-9-20)13-15-28(16-14-25)34(30,31)27-18-21-10-7-17-33-21/h2-6,8-9,11-12,21,27H,7,10,13-19H2,1H3,(H,26,29)/t21-/m1/s1
InChIKeyZFHDKSPNLJOSOA-OAQYLSRUSA-N
XLogP2.47
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 58596001
2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide
CID 67420981
N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040
N-[[1-[(1-cyclohexyl-3-hydroxypropan-2-yl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22240612
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
N-[[1-(N'-cyclopropyl-N-methylsulfonylcarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 23600905
2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 143258720
N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide
CID 23600982
2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
CID 67504804
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
2-methoxy-N-[[4-(2-oxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]benzamide
CID 58842622

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide (CID 58596000) is 2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide is COc1ccccc1C(=O)NCC1(c2ccccc2)CCN(S(=O)(=O)NC[C@H]2CCCO2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
The InChIKey is ZFHDKSPNLJOSOA-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-32-23-12-6-5-11-22(23)24(29)26-19-25(20-8-3-2-4-9-20)13-15-28(16-14-25)34(30,31)27-18-21-10-7-17-33-21/h2-6,8-9,11-12,21,27H,7,10,13-19H2,1H3,(H,26,29)/t21-/m1/s1.
What are the key properties of 2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide?
2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide has a molecular weight of 487.62 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 58596000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).