2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide

C20H23FN2O3S2 — CID 42065287

IUPAC2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O3S2/c1-27-18-7-4-5-16(13-18)22-20(24)14-17-6-2-3-12-23(17)28(25,26)19-10-8-15(21)9-11-19/h4-5,7-11,13,17H,2-3,6,12,14H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyARJZXBVAYSXPNX-QGZVFWFLSA-N
MW422.55 g/mol
LogP4.12
Rot. Bonds6

About 2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 42065287) has the molecular formula C20H23FN2O3S2 and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID42065287
Molecular FormulaC20H23FN2O3S2
Molecular Weight422.55 g/mol
Exact Mass422.11
IUPAC Name2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O3S2/c1-27-18-7-4-5-16(13-18)22-20(24)14-17-6-2-3-12-23(17)28(25,26)19-10-8-15(21)9-11-19/h4-5,7-11,13,17H,2-3,6,12,14H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyARJZXBVAYSXPNX-QGZVFWFLSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065315
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 18150594
N-(2-fluorophenyl)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065307
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42065079
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308
[2-(3-methylsulfanylanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 55427808
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42065132
1-[2-[1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]-3-(3-methylphenyl)urea
CID 18574346
N-(3-fluoro-4-methylphenyl)-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16836998
1-(3-chlorophenyl)-3-[2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]ethyl]urea
CID 41194481
N-(3-chloro-4-methylphenyl)-2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 26562219
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 45495296

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 42065287) is 2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is ARJZXBVAYSXPNX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23FN2O3S2/c1-27-18-7-4-5-16(13-18)22-20(24)14-17-6-2-3-12-23(17)28(25,26)19-10-8-15(21)9-11-19/h4-5,7-11,13,17H,2-3,6,12,14H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 422.55 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 42065287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).