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

C22H22FN3O4S2 — CID 24982944

IUPACN-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H22FN3O4S2/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)
InChIKeyWJKVIRPQUHCLPF-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.47
Rot. Bonds9

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

N-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 24982944) has the molecular formula C22H22FN3O4S2 and a molecular weight of 475.57 g/mol. Its IUPAC name is N-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID24982944
Molecular FormulaC22H22FN3O4S2
Molecular Weight475.57 g/mol
Exact Mass475.10
IUPAC NameN-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C22H22FN3O4S2/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)
InChIKeyWJKVIRPQUHCLPF-UHFFFAOYSA-N
XLogP3.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of N-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 24982944) is N-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for N-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for N-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is WJKVIRPQUHCLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S2/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 N-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
N-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 475.57 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-fluorophenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 24982944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).