4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide

C22H28N2O5S — CID 46803573

IUPAC4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C22H28N2O5S/c1-3-24(4-2)30(26,27)21-12-10-17(11-13-21)22(25)23-18-7-5-8-19(15-18)29-16-20-9-6-14-28-20/h5,7-8,10-13,15,20H,3-4,6,9,14,16H2,1-2H3,(H,23,25)
InChIKeyOEDJIQRDVVHGER-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.53
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide

4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 46803573) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID46803573
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC3CCCO3)c2)cc1
InChIInChI=1S/C22H28N2O5S/c1-3-24(4-2)30(26,27)21-12-10-17(11-13-21)22(25)23-18-7-5-8-19(15-18)29-16-20-9-6-14-28-20/h5,7-8,10-13,15,20H,3-4,6,9,14,16H2,1-2H3,(H,23,25)
InChIKeyOEDJIQRDVVHGER-UHFFFAOYSA-N
XLogP3.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 43056029
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
4-(oxolan-2-ylmethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17222424
4-tert-butyl-N-[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]benzamide
CID 17232441
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
3-bromo-4-butoxy-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141903
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
2-(N-ethylanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54808947

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 46803573) is 4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC3CCCO3)c2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is OEDJIQRDVVHGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-3-24(4-2)30(26,27)21-12-10-17(11-13-21)22(25)23-18-7-5-8-19(15-18)29-16-20-9-6-14-28-20/h5,7-8,10-13,15,20H,3-4,6,9,14,16H2,1-2H3,(H,23,25).
What are the key properties of 4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 432.54 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 46803573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).