N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide

C20H23FN2O3S — CID 18089319

IUPACN-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C20H23FN2O3S/c1-2-23(18-8-4-3-5-9-18)20(24)16-7-6-14-22(15-16)27(25,26)19-12-10-17(21)11-13-19/h3-5,8-13,16H,2,6-7,14-15H2,1H3
InChIKeyZAMAROXVGSJTAC-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.28
Rot. Bonds5

About N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide

N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide (PubChem CID 18089319) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
PubChem CID18089319
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C20H23FN2O3S/c1-2-23(18-8-4-3-5-9-18)20(24)16-7-6-14-22(15-16)27(25,26)19-12-10-17(21)11-13-19/h3-5,8-13,16H,2,6-7,14-15H2,1H3
InChIKeyZAMAROXVGSJTAC-UHFFFAOYSA-N
XLogP3.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 42933337
(3S)-1-(4-bromophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 25496863
[2-(N-ethylanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 46659401
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 51265846
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 125049657
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55407096
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 18148402
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55413326
(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100800356
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide (CID 18089319) is N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide is CCN(C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)c1ccccc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide?
The InChIKey is ZAMAROXVGSJTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-2-23(18-8-4-3-5-9-18)20(24)16-7-6-14-22(15-16)27(25,26)19-12-10-17(21)11-13-19/h3-5,8-13,16H,2,6-7,14-15H2,1H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide?
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 18089319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).