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

C22H24F2N2O4S — CID 112763783

IUPAC1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C22H24F2N2O4S/c1-14(20-8-5-18(23)13-21(20)24)25-22(28)17-9-11-26(12-10-17)31(29,30)19-6-3-16(4-7-19)15(2)27/h3-8,13-14,17H,9-12H2,1-2H3,(H,25,28)
InChIKeyGFFORPCUCMKBIP-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.45
Rot. Bonds6

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

1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 112763783) has the molecular formula C22H24F2N2O4S and a molecular weight of 450.51 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID112763783
Molecular FormulaC22H24F2N2O4S
Molecular Weight450.51 g/mol
Exact Mass450.14
IUPAC Name1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C22H24F2N2O4S/c1-14(20-8-5-18(23)13-21(20)24)25-22(28)17-9-11-26(12-10-17)31(29,30)19-6-3-16(4-7-19)15(2)27/h3-8,13-14,17H,9-12H2,1-2H3,(H,25,28)
InChIKeyGFFORPCUCMKBIP-UHFFFAOYSA-N
XLogP3.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 8782191
N-[1-(2,4-dimethylphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 133167121
1-(4-acetylphenyl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
CID 112762584
N-[1-(2,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43012696
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202360
1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 26202361
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241
1-(4-acetylphenyl)sulfonyl-N-[(2R)-3-hydroxy-2-methylpropyl]piperidine-4-carboxamide
CID 97087231
1-(4-acetylphenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 26695995
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 112763791
1-(4-acetylphenyl)sulfonyl-N-(2-amino-1-cyclopropylethyl)piperidine-4-carboxamide;hydrochloride
CID 119613445

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide (CID 112763783) is 1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is GFFORPCUCMKBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O4S/c1-14(20-8-5-18(23)13-21(20)24)25-22(28)17-9-11-26(12-10-17)31(29,30)19-6-3-16(4-7-19)15(2)27/h3-8,13-14,17H,9-12H2,1-2H3,(H,25,28).
What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide?
1-(4-acetylphenyl)sulfonyl-N-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 3.45, 6 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-[1-(2,4-difluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 112763783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).