3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

C22H28N2O6S — CID 2963232

IUPAC3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1OCC
InChIInChI=1S/C22H28N2O6S/c1-3-28-20-12-7-16(14-21(20)29-4-2)22(25)24-17-8-10-19(11-9-17)31(26,27)23-15-18-6-5-13-30-18/h7-12,14,18,23H,3-6,13,15H2,1-2H3,(H,24,25)
InChIKeyQRZLLUZZHPQDIY-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.19
Rot. Bonds10

About 3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 2963232) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID2963232
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1OCC
InChIInChI=1S/C22H28N2O6S/c1-3-28-20-12-7-16(14-21(20)29-4-2)22(25)24-17-8-10-19(11-9-17)31(26,27)23-15-18-6-5-13-30-18/h7-12,14,18,23H,3-6,13,15H2,1-2H3,(H,24,25)
InChIKeyQRZLLUZZHPQDIY-UHFFFAOYSA-N
XLogP3.19
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 2963232) is 3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC3CCCO3)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is QRZLLUZZHPQDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-3-28-20-12-7-16(14-21(20)29-4-2)22(25)24-17-8-10-19(11-9-17)31(26,27)23-15-18-6-5-13-30-18/h7-12,14,18,23H,3-6,13,15H2,1-2H3,(H,24,25).
What are the key properties of 3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 448.54 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2963232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).