N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

C24H27N3O4S2 — CID 25163274

IUPACN-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O4S2/c1-3-26(18-23(28)25-17-21-11-8-16-32-21)24(29)19-12-14-22(15-13-19)33(30,31)27(4-2)20-9-6-5-7-10-20/h5-16H,3-4,17-18H2,1-2H3,(H,25,28)
InChIKeyWUIAOACWZQIQCL-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.74
Rot. Bonds10

About N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 25163274) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID25163274
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC NameN-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O4S2/c1-3-26(18-23(28)25-17-21-11-8-16-32-21)24(29)19-12-14-22(15-13-19)33(30,31)27(4-2)20-9-6-5-7-10-20/h5-16H,3-4,17-18H2,1-2H3,(H,25,28)
InChIKeyWUIAOACWZQIQCL-UHFFFAOYSA-N
XLogP3.74
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 25163274) is N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1.
What is the InChIKey of N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is WUIAOACWZQIQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-3-26(18-23(28)25-17-21-11-8-16-32-21)24(29)19-12-14-22(15-13-19)33(30,31)27(4-2)20-9-6-5-7-10-20/h5-16H,3-4,17-18H2,1-2H3,(H,25,28).
What are the key properties of N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 485.63 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[ethyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 25163274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).