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

C24H30N2O6S — CID 46478512

IUPACN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(OCC2CCCO2)cc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C24H30N2O6S/c27-24(25-15-18-5-9-20(10-6-18)32-17-22-4-2-14-31-22)19-7-11-23(12-8-19)33(28,29)26-16-21-3-1-13-30-21/h5-12,21-22,26H,1-4,13-17H2,(H,25,27)
InChIKeyBQTHPHWHTJUZCM-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.63
Rot. Bonds10

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

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 46478512) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID46478512
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC NameN-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(OCC2CCCO2)cc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C24H30N2O6S/c27-24(25-15-18-5-9-20(10-6-18)32-17-22-4-2-14-31-22)19-7-11-23(12-8-19)33(28,29)26-16-21-3-1-13-30-21/h5-12,21-22,26H,1-4,13-17H2,(H,25,27)
InChIKeyBQTHPHWHTJUZCM-UHFFFAOYSA-N
XLogP2.63
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
N-(1,3-benzodioxol-5-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2946621
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 46468515
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide
CID 24552448
3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide
CID 47058818
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43003903
1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119736096
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794

Frequently Asked Questions

What is the IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 46478512) is N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(NCc1ccc(OCC2CCCO2)cc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is BQTHPHWHTJUZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c27-24(25-15-18-5-9-20(10-6-18)32-17-22-4-2-14-31-22)19-7-11-23(12-8-19)33(28,29)26-16-21-3-1-13-30-21/h5-12,21-22,26H,1-4,13-17H2,(H,25,27).
What are the key properties of N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 474.58 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 46478512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).