1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide

C22H25FN2O4S — CID 55361457

IUPAC1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C22H25FN2O4S/c1-16(26)17-9-11-19(12-10-17)30(28,29)25-15-5-4-8-21(25)22(27)24-14-13-18-6-2-3-7-20(18)23/h2-3,6-7,9-12,21H,4-5,8,13-15H2,1H3,(H,24,27)
InChIKeyRHRDXFYPRRAHKF-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.93
Rot. Bonds7

About 1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide

1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide (PubChem CID 55361457) has the molecular formula C22H25FN2O4S and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
PubChem CID55361457
Molecular FormulaC22H25FN2O4S
Molecular Weight432.52 g/mol
Exact Mass432.15
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C22H25FN2O4S/c1-16(26)17-9-11-19(12-10-17)30(28,29)25-15-5-4-8-21(25)22(27)24-14-13-18-6-2-3-7-20(18)23/h2-3,6-7,9-12,21H,4-5,8,13-15H2,1H3,(H,24,27)
InChIKeyRHRDXFYPRRAHKF-UHFFFAOYSA-N
XLogP2.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 24619780
1-(4-acetylphenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119502993
(2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 92887750
1-(benzenesulfonyl)-N-[2-(5-bromo-2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 60589919
1-(benzenesulfonyl)-N-[2-(methylamino)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119500164
1-(4-acetylphenyl)sulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-2-carboxamide
CID 55924143
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 55335097
(2S)-1-(4-fluorophenyl)sulfonyl-N-(2-oxopropyl)piperidine-2-carboxamide
CID 57063766
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 35769793
methyl 3-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]propanoate
CID 53263010

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide (CID 55361457) is 1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)NCCc2ccccc2F)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is RHRDXFYPRRAHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4S/c1-16(26)17-9-11-19(12-10-17)30(28,29)25-15-5-4-8-21(25)22(27)24-14-13-18-6-2-3-7-20(18)23/h2-3,6-7,9-12,21H,4-5,8,13-15H2,1H3,(H,24,27).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 55361457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).