N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C20H23FN2O3S — CID 1327593

IUPACN-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-2-15-3-7-18(8-4-15)22-20(24)16-11-13-23(14-12-16)27(25,26)19-9-5-17(21)6-10-19/h3-10,16H,2,11-14H2,1H3,(H,22,24)
InChIKeyFWIYHVVGCFVOGQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.43
Rot. Bonds5

About N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1327593) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1327593
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN2O3S/c1-2-15-3-7-18(8-4-15)22-20(24)16-11-13-23(14-12-16)27(25,26)19-9-5-17(21)6-10-19/h3-10,16H,2,11-14H2,1H3,(H,22,24)
InChIKeyFWIYHVVGCFVOGQ-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 8025714
1-(4-carbamoylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 9078108
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 123595033
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 34033203
N-(4-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30844732
1-(4-fluorophenyl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]piperidine-4-carboxamide
CID 56559263
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 1327593) is N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FWIYHVVGCFVOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-2-15-3-7-18(8-4-15)22-20(24)16-11-13-23(14-12-16)27(25,26)19-9-5-17(21)6-10-19/h3-10,16H,2,11-14H2,1H3,(H,22,24).
What are the key properties of N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1327593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).