oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate

C24H23N3O6S — CID 24895550

IUPACoxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccn2)cc1)OCC1CCCO1
InChIInChI=1S/C24H23N3O6S/c28-23(22-9-3-4-14-25-22)20-7-1-2-8-21(20)27-34(30,31)19-12-10-17(11-13-19)26-24(29)33-16-18-6-5-15-32-18/h1-4,7-14,18,27H,5-6,15-16H2,(H,26,29)
InChIKeyPLUSCNOLGPTWEQ-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.84
Rot. Bonds8

About oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate

oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate (PubChem CID 24895550) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate
PubChem CID24895550
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Nameoxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccn2)cc1)OCC1CCCO1
InChIInChI=1S/C24H23N3O6S/c28-23(22-9-3-4-14-25-22)20-7-1-2-8-21(20)27-34(30,31)19-12-10-17(11-13-19)26-24(29)33-16-18-6-5-15-32-18/h1-4,7-14,18,27H,5-6,15-16H2,(H,26,29)
InChIKeyPLUSCNOLGPTWEQ-UHFFFAOYSA-N
XLogP3.84
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate?
The IUPAC name of oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate (CID 24895550) is oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate.
What is the SMILES notation for oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate?
The canonical SMILES for oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccn2)cc1)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate?
The InChIKey is PLUSCNOLGPTWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c28-23(22-9-3-4-14-25-22)20-7-1-2-8-21(20)27-34(30,31)19-12-10-17(11-13-19)26-24(29)33-16-18-6-5-15-32-18/h1-4,7-14,18,27H,5-6,15-16H2,(H,26,29).
What are the key properties of oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate?
oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate has a molecular weight of 481.53 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl N-[4-[[2-(pyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 24895550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).