N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide

C21H25FN2O4S — CID 33078976

IUPACN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2cc(F)ccc2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H25FN2O4S/c1-3-28-19-10-9-17(23-21(25)18-13-16(22)8-7-15(18)2)14-20(19)29(26,27)24-11-5-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)
InChIKeyQFRYQVMCQUUWGJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.96
Rot. Bonds6

About N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide (PubChem CID 33078976) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide
PubChem CID33078976
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide
SMILESCCOc1ccc(NC(=O)c2cc(F)ccc2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H25FN2O4S/c1-3-28-19-10-9-17(23-21(25)18-13-16(22)8-7-15(18)2)14-20(19)29(26,27)24-11-5-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25)
InChIKeyQFRYQVMCQUUWGJ-UHFFFAOYSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
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N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
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N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-ethylsulfanylbenzamide
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N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
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N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3-fluorophenyl)acetamide
CID 9390373
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
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N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 24590368
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43069159
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide?
The IUPAC name of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide (CID 33078976) is N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide is CCOc1ccc(NC(=O)c2cc(F)ccc2C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide?
The InChIKey is QFRYQVMCQUUWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-3-28-19-10-9-17(23-21(25)18-13-16(22)8-7-15(18)2)14-20(19)29(26,27)24-11-5-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide?
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluoro-2-methylbenzamide has a molecular weight of 420.51 g/mol, XLogP of 3.96, 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)-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 33078976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).