2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide

C24H31N3O7S2 — CID 3202224

IUPAC2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide
SMILESO=C(CN(CC1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1)Nc1ccccc1
InChIInChI=1S/C24H31N3O7S2/c28-24(26-19-6-2-1-3-7-19)18-27(17-21-9-5-15-34-21)36(31,32)23-12-10-22(11-13-23)35(29,30)25-16-20-8-4-14-33-20/h1-3,6-7,10-13,20-21,25H,4-5,8-9,14-18H2,(H,26,28)
InChIKeyWBHJSLDBCXZLLZ-UHFFFAOYSA-N
MW537.66 g/mol
LogP1.95
Rot. Bonds11

About 2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide

2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide (PubChem CID 3202224) has the molecular formula C24H31N3O7S2 and a molecular weight of 537.66 g/mol. Its IUPAC name is 2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide
PubChem CID3202224
Molecular FormulaC24H31N3O7S2
Molecular Weight537.66 g/mol
Exact Mass537.16
IUPAC Name2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide
SMILESO=C(CN(CC1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1)Nc1ccccc1
InChIInChI=1S/C24H31N3O7S2/c28-24(26-19-6-2-1-3-7-19)18-27(17-21-9-5-15-34-21)36(31,32)23-12-10-22(11-13-23)35(29,30)25-16-20-8-4-14-33-20/h1-3,6-7,10-13,20-21,25H,4-5,8-9,14-18H2,(H,26,28)
InChIKeyWBHJSLDBCXZLLZ-UHFFFAOYSA-N
XLogP1.95
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.66
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide?
The IUPAC name of 2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide (CID 3202224) is 2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide?
The canonical SMILES for 2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide is O=C(CN(CC1CCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide?
The InChIKey is WBHJSLDBCXZLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O7S2/c28-24(26-19-6-2-1-3-7-19)18-27(17-21-9-5-15-34-21)36(31,32)23-12-10-22(11-13-23)35(29,30)25-16-20-8-4-14-33-20/h1-3,6-7,10-13,20-21,25H,4-5,8-9,14-18H2,(H,26,28).
What are the key properties of 2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide?
2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide has a molecular weight of 537.66 g/mol, XLogP of 1.95, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxolan-2-ylmethyl-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylamino]-N-phenylacetamide is sourced from PubChem (CID 3202224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).