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

C22H22ClN3O4S2 — CID 25163381

IUPAC4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H22ClN3O4S2/c1-2-26(15-21(27)24-14-17-6-5-13-31-17)22(28)16-9-11-18(12-10-16)32(29,30)25-20-8-4-3-7-19(20)23/h3-13,25H,2,14-15H2,1H3,(H,24,27)
InChIKeyMXOKQTOMCHCRGK-UHFFFAOYSA-N
MW492.02 g/mol
LogP3.98
Rot. Bonds9

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

4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 25163381) has the molecular formula C22H22ClN3O4S2 and a molecular weight of 492.02 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID25163381
Molecular FormulaC22H22ClN3O4S2
Molecular Weight492.02 g/mol
Exact Mass491.07
IUPAC Name4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H22ClN3O4S2/c1-2-26(15-21(27)24-14-17-6-5-13-31-17)22(28)16-9-11-18(12-10-16)32(29,30)25-20-8-4-3-7-19(20)23/h3-13,25H,2,14-15H2,1H3,(H,24,27)
InChIKeyMXOKQTOMCHCRGK-UHFFFAOYSA-N
XLogP3.98
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 25163381) is 4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is MXOKQTOMCHCRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S2/c1-2-26(15-21(27)24-14-17-6-5-13-31-17)22(28)16-9-11-18(12-10-16)32(29,30)25-20-8-4-3-7-19(20)23/h3-13,25H,2,14-15H2,1H3,(H,24,27).
What are the key properties of 4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 492.02 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)sulfamoyl]-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 25163381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).