2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide

C25H33N3O5S — CID 67420981

IUPAC2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide
SMILESCOc1c(CC2(c3ccccc3)CCN(S(=O)(=O)NCC3CCCO3)CC2)cccc1C(N)=O
InChIInChI=1S/C25H33N3O5S/c1-32-23-19(7-5-11-22(23)24(26)29)17-25(20-8-3-2-4-9-20)12-14-28(15-13-25)34(30,31)27-18-21-10-6-16-33-21/h2-5,7-9,11,21,27H,6,10,12-18H2,1H3,(H2,26,29)
InChIKeySGNJFSXREGJLGT-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.38
Rot. Bonds9

About 2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide

2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide (PubChem CID 67420981) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is 2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide
PubChem CID67420981
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Name2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide
SMILESCOc1c(CC2(c3ccccc3)CCN(S(=O)(=O)NCC3CCCO3)CC2)cccc1C(N)=O
InChIInChI=1S/C25H33N3O5S/c1-32-23-19(7-5-11-22(23)24(26)29)17-25(20-8-3-2-4-9-20)12-14-28(15-13-25)34(30,31)27-18-21-10-6-16-33-21/h2-5,7-9,11,21,27H,6,10,12-18H2,1H3,(H2,26,29)
InChIKeySGNJFSXREGJLGT-UHFFFAOYSA-N
XLogP2.38
TPSA110.96 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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 58596000
2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
CID 67504804
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2987091
2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 162628228
[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976905
3-amino-3-hydroxyimino-N-(oxolan-2-ylmethyl)-2-phenylpropanamide
CID 76975426
2-methyl-1-(oxolan-2-ylmethyl)-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111136527
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55851242
(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976955
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide (CID 67420981) is 2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide is COc1c(CC2(c3ccccc3)CCN(S(=O)(=O)NCC3CCCO3)CC2)cccc1C(N)=O.
What is the InChIKey of 2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide?
The InChIKey is SGNJFSXREGJLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-32-23-19(7-5-11-22(23)24(26)29)17-25(20-8-3-2-4-9-20)12-14-28(15-13-25)34(30,31)27-18-21-10-6-16-33-21/h2-5,7-9,11,21,27H,6,10,12-18H2,1H3,(H2,26,29).
What are the key properties of 2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide?
2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide has a molecular weight of 487.62 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 67420981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).