N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide

C24H26ClN3O3S — CID 4884940

IUPACN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CNC(C)c2ccccc2)c1
InChIInChI=1S/C24H26ClN3O3S/c1-3-28(20-12-8-5-9-13-20)32(30,31)21-14-15-22(25)23(16-21)27-24(29)17-26-18(2)19-10-6-4-7-11-19/h4-16,18,26H,3,17H2,1-2H3,(H,27,29)
InChIKeyXDWXIVQLGCZPEC-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.84
Rot. Bonds9

About N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide

N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide (PubChem CID 4884940) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide
PubChem CID4884940
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CNC(C)c2ccccc2)c1
InChIInChI=1S/C24H26ClN3O3S/c1-3-28(20-12-8-5-9-13-20)32(30,31)21-14-15-22(25)23(16-21)27-24(29)17-26-18(2)19-10-6-4-7-11-19/h4-16,18,26H,3,17H2,1-2H3,(H,27,29)
InChIKeyXDWXIVQLGCZPEC-UHFFFAOYSA-N
XLogP4.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide?
The IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide (CID 4884940) is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide.
What is the SMILES notation for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide?
The canonical SMILES for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CNC(C)c2ccccc2)c1.
What is the InChIKey of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide?
The InChIKey is XDWXIVQLGCZPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-3-28(20-12-8-5-9-13-20)32(30,31)21-14-15-22(25)23(16-21)27-24(29)17-26-18(2)19-10-6-4-7-11-19/h4-16,18,26H,3,17H2,1-2H3,(H,27,29).
What are the key properties of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide?
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide has a molecular weight of 472.01 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1-phenylethylamino)acetamide is sourced from PubChem (CID 4884940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).