N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide

C24H25ClN2O4S — CID 2205326

IUPACN-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-2-16-26-32(29,30)21-12-8-18(9-13-21)10-15-24(28)27-22-17-19(25)11-14-23(22)31-20-6-4-3-5-7-20/h3-9,11-14,17,26H,2,10,15-16H2,1H3,(H,27,28)
InChIKeyUHOUDKYEYDHCOY-UHFFFAOYSA-N
MW472.99 g/mol
LogP5.39
Rot. Bonds10

About N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide

N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide (PubChem CID 2205326) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
PubChem CID2205326
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-2-16-26-32(29,30)21-12-8-18(9-13-21)10-15-24(28)27-22-17-19(25)11-14-23(22)31-20-6-4-3-5-7-20/h3-9,11-14,17,26H,2,10,15-16H2,1H3,(H,27,28)
InChIKeyUHOUDKYEYDHCOY-UHFFFAOYSA-N
XLogP5.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.99
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide (CID 2205326) is N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide is CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
The InChIKey is UHOUDKYEYDHCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-2-16-26-32(29,30)21-12-8-18(9-13-21)10-15-24(28)27-22-17-19(25)11-14-23(22)31-20-6-4-3-5-7-20/h3-9,11-14,17,26H,2,10,15-16H2,1H3,(H,27,28).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide has a molecular weight of 472.99 g/mol, XLogP of 5.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2205326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).