3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide

C21H27FN2O4S — CID 5082468

IUPAC3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
SMILESCCCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC)ccc1F
InChIInChI=1S/C21H27FN2O4S/c1-4-7-14-24(5-2)29(26,27)20-15-16(12-13-17(20)22)21(25)23-18-10-8-9-11-19(18)28-6-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,25)
InChIKeyKEZPWSSJLRQIRO-UHFFFAOYSA-N
MW422.52 g/mol
LogP4.29
Rot. Bonds10

About 3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide

3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide (PubChem CID 5082468) has the molecular formula C21H27FN2O4S and a molecular weight of 422.52 g/mol. Its IUPAC name is 3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
PubChem CID5082468
Molecular FormulaC21H27FN2O4S
Molecular Weight422.52 g/mol
Exact Mass422.17
IUPAC Name3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
SMILESCCCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC)ccc1F
InChIInChI=1S/C21H27FN2O4S/c1-4-7-14-24(5-2)29(26,27)20-15-16(12-13-17(20)22)21(25)23-18-10-8-9-11-19(18)28-6-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,25)
InChIKeyKEZPWSSJLRQIRO-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 52707592
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 8503404
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 110295913
N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2302190
3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591009
3-[(4-bromophenyl)carbamothioyl-(2-phenylethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 46371443
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55887161
N-(2-ethoxyphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9192356
1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide
CID 5058623
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55528339
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide (CID 5082468) is 3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide is CCCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC)ccc1F.
What is the InChIKey of 3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide?
The InChIKey is KEZPWSSJLRQIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4S/c1-4-7-14-24(5-2)29(26,27)20-15-16(12-13-17(20)22)21(25)23-18-10-8-9-11-19(18)28-6-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,25).
What are the key properties of 3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide?
3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide has a molecular weight of 422.52 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 5082468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).