N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

C25H26N4O5S — CID 25342627

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C25H26N4O5S/c1-34-23-10-3-2-9-22(23)28-35(32,33)21-8-4-7-20(16-21)27-24(30)18-11-14-29(15-12-18)25(31)19-6-5-13-26-17-19/h2-10,13,16-18,28H,11-12,14-15H2,1H3,(H,27,30)
InChIKeyUXAWXHASUNXDJH-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.38
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 25342627) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID25342627
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C25H26N4O5S/c1-34-23-10-3-2-9-22(23)28-35(32,33)21-8-4-7-20(16-21)27-24(30)18-11-14-29(15-12-18)25(31)19-6-5-13-26-17-19/h2-10,13,16-18,28H,11-12,14-15H2,1H3,(H,27,30)
InChIKeyUXAWXHASUNXDJH-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

1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55933258
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 9414168
1-[3-(cyclohexanecarbonylamino)benzoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33342519
N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544059
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
N-(2-propan-2-yloxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39499134
N-(2-methoxyphenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55349253
N-(2-methoxyphenyl)-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 46432087
N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43043956
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 4263456
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (CID 25342627) is N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is UXAWXHASUNXDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-34-23-10-3-2-9-22(23)28-35(32,33)21-8-4-7-20(16-21)27-24(30)18-11-14-29(15-12-18)25(31)19-6-5-13-26-17-19/h2-10,13,16-18,28H,11-12,14-15H2,1H3,(H,27,30).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-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 N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 25342627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).