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

C25H33N3O5S — CID 67504804

IUPAC2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NC(C1(c2ccccc2)CCNCC1)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C25H33N3O5S/c1-32-22-12-6-5-11-21(22)23(29)28-24(34(30,31)27-18-20-10-7-17-33-20)25(13-15-26-16-14-25)19-8-3-2-4-9-19/h2-6,8-9,11-12,20,24,26-27H,7,10,13-18H2,1H3,(H,28,29)
InChIKeyCKEGZZSOJWCYAI-UHFFFAOYSA-N
MW487.62 g/mol
LogP2.17
Rot. Bonds9

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

2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide (PubChem CID 67504804) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is 2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
PubChem CID67504804
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Name2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NC(C1(c2ccccc2)CCNCC1)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C25H33N3O5S/c1-32-22-12-6-5-11-21(22)23(29)28-24(34(30,31)27-18-20-10-7-17-33-20)25(13-15-26-16-14-25)19-8-3-2-4-9-19/h2-6,8-9,11-12,20,24,26-27H,7,10,13-18H2,1H3,(H,28,29)
InChIKeyCKEGZZSOJWCYAI-UHFFFAOYSA-N
XLogP2.17
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[(4-phenylpiperidin-4-yl)-(propylsulfamoyl)methyl]benzamide
CID 67420983
2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 58596000
N-[(4-fluorophenyl)methylsulfamoyl-(4-thiophen-2-ylpiperidin-4-yl)methyl]-2-methoxybenzamide
CID 67420764
2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025379
2-(difluoromethoxy)-N-[dimethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide
CID 67420131
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
2-methoxy-3-[[1-(oxolan-2-ylmethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]benzamide
CID 67420981
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843784
4-(2-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955285

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide (CID 67504804) is 2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide is COc1ccccc1C(=O)NC(C1(c2ccccc2)CCNCC1)S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide?
The InChIKey is CKEGZZSOJWCYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-32-22-12-6-5-11-21(22)23(29)28-24(34(30,31)27-18-20-10-7-17-33-20)25(13-15-26-16-14-25)19-8-3-2-4-9-19/h2-6,8-9,11-12,20,24,26-27H,7,10,13-18H2,1H3,(H,28,29).
What are the key properties of 2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide?
2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide has a molecular weight of 487.62 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[oxolan-2-ylmethylsulfamoyl-(4-phenylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 67504804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).