3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

C25H28N2O4S — CID 108807272

IUPAC3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCCc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-2-20-8-12-23(13-9-20)31-19-17-25(28)27-22-10-14-24(15-11-22)32(29,30)26-18-16-21-6-4-3-5-7-21/h3-15,26H,2,16-19H2,1H3,(H,27,28)
InChIKeyROURQSAWBQQPIB-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.18
Rot. Bonds11

About 3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 108807272) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID108807272
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCCc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-2-20-8-12-23(13-9-20)31-19-17-25(28)27-22-10-14-24(15-11-22)32(29,30)26-18-16-21-6-4-3-5-7-21/h3-15,26H,2,16-19H2,1H3,(H,27,28)
InChIKeyROURQSAWBQQPIB-UHFFFAOYSA-N
XLogP4.18
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108802323
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4956301
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 17160952
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173418
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
2-(4-ethylphenoxy)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 4932605
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795729
2-(2-bromo-4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173639
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (CID 108807272) is 3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is CCc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is ROURQSAWBQQPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-2-20-8-12-23(13-9-20)31-19-17-25(28)27-22-10-14-24(15-11-22)32(29,30)26-18-16-21-6-4-3-5-7-21/h3-15,26H,2,16-19H2,1H3,(H,27,28).
What are the key properties of 3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 452.58 g/mol, XLogP of 4.18, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 108807272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).