4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

C29H28N2O4S — CID 4956301

IUPAC4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C29H28N2O4S/c32-29(25-11-15-27(16-12-25)35-22-20-24-9-5-2-6-10-24)31-26-13-17-28(18-14-26)36(33,34)30-21-19-23-7-3-1-4-8-23/h1-18,30H,19-22H2,(H,31,32)
InChIKeyNPINFRMALHMPEI-UHFFFAOYSA-N
MW500.62 g/mol
LogP5.08
Rot. Bonds11

About 4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (PubChem CID 4956301) has the molecular formula C29H28N2O4S and a molecular weight of 500.62 g/mol. Its IUPAC name is 4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
PubChem CID4956301
Molecular FormulaC29H28N2O4S
Molecular Weight500.62 g/mol
Exact Mass500.18
IUPAC Name4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C29H28N2O4S/c32-29(25-11-15-27(16-12-25)35-22-20-24-9-5-2-6-10-24)31-26-13-17-28(18-14-26)36(33,34)30-21-19-23-7-3-1-4-8-23/h1-18,30H,19-22H2,(H,31,32)
InChIKeyNPINFRMALHMPEI-UHFFFAOYSA-N
XLogP5.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
4-(oxolan-2-ylmethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17222220
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17309261
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-4-(2-phenylethoxy)benzamide
CID 4956376
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (CID 4956301) is 4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The InChIKey is NPINFRMALHMPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O4S/c32-29(25-11-15-27(16-12-25)35-22-20-24-9-5-2-6-10-24)31-26-13-17-28(18-14-26)36(33,34)30-21-19-23-7-3-1-4-8-23/h1-18,30H,19-22H2,(H,31,32).
What are the key properties of 4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide has a molecular weight of 500.62 g/mol, XLogP of 5.08, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4956301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).