2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide

C24H26N2O5S — CID 4954384

IUPAC2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-2-16-25-32(28,29)21-14-12-19(13-15-21)26-24(27)22-10-6-7-11-23(22)31-18-17-30-20-8-4-3-5-9-20/h3-15,25H,2,16-18H2,1H3,(H,26,27)
InChIKeyBXQWFLKUONIBPI-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.09
Rot. Bonds11

About 2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide

2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide (PubChem CID 4954384) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
PubChem CID4954384
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-2-16-25-32(28,29)21-14-12-19(13-15-21)26-24(27)22-10-6-7-11-23(22)31-18-17-30-20-8-4-3-5-9-20/h3-15,25H,2,16-18H2,1H3,(H,26,27)
InChIKeyBXQWFLKUONIBPI-UHFFFAOYSA-N
XLogP4.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954263
N-(4-ethoxyphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954273
2-(difluoromethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 34174804
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 42999581
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954338
2-(2-ethoxyethoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 17122669
2-butoxy-N-(4-propoxyphenyl)benzamide
CID 4943156
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
3-(2-phenoxyethoxy)-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4955321
N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4954400

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide (CID 4954384) is 2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide is CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1.
What is the InChIKey of 2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide?
The InChIKey is BXQWFLKUONIBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-2-16-25-32(28,29)21-14-12-19(13-15-21)26-24(27)22-10-6-7-11-23(22)31-18-17-30-20-8-4-3-5-9-20/h3-15,25H,2,16-18H2,1H3,(H,26,27).
What are the key properties of 2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide?
2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide has a molecular weight of 454.55 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4954384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).