4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide

C25H26N2O5S — CID 46468515

IUPAC4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C25H26N2O5S/c28-25(26-17-19-6-4-9-22(16-19)32-21-7-2-1-3-8-21)20-11-13-24(14-12-20)33(29,30)27-18-23-10-5-15-31-23/h1-4,6-9,11-14,16,23,27H,5,10,15,17-18H2,(H,26,28)
InChIKeyUYKPKSSFTVWZGD-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.87
Rot. Bonds9

About 4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide

4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide (PubChem CID 46468515) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
PubChem CID46468515
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C25H26N2O5S/c28-25(26-17-19-6-4-9-22(16-19)32-21-7-2-1-3-8-21)20-11-13-24(14-12-20)33(29,30)27-18-23-10-5-15-31-23/h1-4,6-9,11-14,16,23,27H,5,10,15,17-18H2,(H,26,28)
InChIKeyUYKPKSSFTVWZGD-UHFFFAOYSA-N
XLogP3.87
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-phenoxyphenyl)benzamide
CID 25412976
4-(oxolan-2-ylmethylsulfamoyl)-N-(4-phenoxybutyl)benzamide
CID 24552448
N-(1,3-benzodioxol-5-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2946621
4-chloro-N-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46799138
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43003903
N-[(6-methoxynaphthalen-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646084
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide (CID 46468515) is 4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide is O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide?
The InChIKey is UYKPKSSFTVWZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c28-25(26-17-19-6-4-9-22(16-19)32-21-7-2-1-3-8-21)20-11-13-24(14-12-20)33(29,30)27-18-23-10-5-15-31-23/h1-4,6-9,11-14,16,23,27H,5,10,15,17-18H2,(H,26,28).
What are the key properties of 4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide?
4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide has a molecular weight of 466.56 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylsulfamoyl)-N-[(3-phenoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46468515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).