N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide

C20H23FN2O4S — CID 7589957

IUPACN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2cccc(F)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23FN2O4S/c1-2-27-18-10-9-17(22-20(24)15-7-6-8-16(21)13-15)14-19(18)28(25,26)23-11-4-3-5-12-23/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,24)
InChIKeyYYXPKKYGGBMXPC-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.65
Rot. Bonds6

About N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide (PubChem CID 7589957) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
PubChem CID7589957
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2cccc(F)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23FN2O4S/c1-2-27-18-10-9-17(22-20(24)15-7-6-8-16(21)13-15)14-19(18)28(25,26)23-11-4-3-5-12-23/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,24)
InChIKeyYYXPKKYGGBMXPC-UHFFFAOYSA-N
XLogP3.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-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-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methoxybenzamide
CID 7589948
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3-fluorophenyl)acetamide
CID 9390373
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide
CID 33078976
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43069159
2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 32696205
3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 9390241
3-chloro-N-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]benzamide
CID 17488443
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-(methoxymethyl)benzamide
CID 8624161
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide?
The IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide (CID 7589957) is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide is CCOc1ccc(NC(=O)c2cccc(F)c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide?
The InChIKey is YYXPKKYGGBMXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-2-27-18-10-9-17(22-20(24)15-7-6-8-16(21)13-15)14-19(18)28(25,26)23-11-4-3-5-12-23/h6-10,13-14H,2-5,11-12H2,1H3,(H,22,24).
What are the key properties of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide?
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide has a molecular weight of 406.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 7589957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).