1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C25H26N4O5S — CID 55933258

IUPAC1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)c1
InChIInChI=1S/C25H26N4O5S/c1-34-22-10-3-2-9-21(22)28-35(32,33)20-8-6-7-19(17-20)25(31)29-15-12-18(13-16-29)24(30)27-23-11-4-5-14-26-23/h2-11,14,17-18,28H,12-13,15-16H2,1H3,(H,26,27,30)
InChIKeyJVGWGESIQNWUQK-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.38
Rot. Bonds7

About 1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55933258) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is 1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID55933258
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC Name1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)c1
InChIInChI=1S/C25H26N4O5S/c1-34-22-10-3-2-9-21(22)28-35(32,33)20-8-6-7-19(17-20)25(31)29-15-12-18(13-16-29)24(30)27-23-11-4-5-14-26-23/h2-11,14,17-18,28H,12-13,15-16H2,1H3,(H,26,27,30)
InChIKeyJVGWGESIQNWUQK-UHFFFAOYSA-N
XLogP3.38
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 25342627
N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544059
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
1-(4-cyclopentyloxy-3-methoxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808317
N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43043956
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202
3-(2,6-dimethylmorpholine-4-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 24981051
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 9414168
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33342519
N-(2-methoxyphenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55349253
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
1-(3-cyanobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 38646862

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55933258) is 1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)c1.
What is the InChIKey of 1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is JVGWGESIQNWUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-34-22-10-3-2-9-21(22)28-35(32,33)20-8-6-7-19(17-20)25(31)29-15-12-18(13-16-29)24(30)27-23-11-4-5-14-26-23/h2-11,14,17-18,28H,12-13,15-16H2,1H3,(H,26,27,30).
What are the key properties of 1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55933258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).