4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide

C19H22N2O5S — CID 46560251

IUPAC4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c20-27(23,24)18-9-3-14(4-10-18)12-21-19(22)15-5-7-16(8-6-15)26-13-17-2-1-11-25-17/h3-10,17H,1-2,11-13H2,(H,21,22)(H2,20,23,24)
InChIKeyLNHBCSLEJRISOG-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.82
Rot. Bonds7

About 4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide

4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 46560251) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID46560251
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCC3CCCO3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c20-27(23,24)18-9-3-14(4-10-18)12-21-19(22)15-5-7-16(8-6-15)26-13-17-2-1-11-25-17/h3-10,17H,1-2,11-13H2,(H,21,22)(H2,20,23,24)
InChIKeyLNHBCSLEJRISOG-UHFFFAOYSA-N
XLogP1.82
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 46469688
4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585097
5-chloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481831
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 94097094
N-[(3-bromo-5-fluorophenyl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55907648
N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 119641383
5-bromo-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481868
2-[methyl(propan-2-yl)amino]-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 75462382

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 46560251) is 4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is LNHBCSLEJRISOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c20-27(23,24)18-9-3-14(4-10-18)12-21-19(22)15-5-7-16(8-6-15)26-13-17-2-1-11-25-17/h3-10,17H,1-2,11-13H2,(H,21,22)(H2,20,23,24).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 46560251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).