2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C20H23FN2O3S2 — CID 9492775

IUPAC2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H23FN2O3S2/c1-15-10-12-23(13-11-15)28(25,26)19-8-4-17(5-9-19)22-20(24)14-27-18-6-2-16(21)3-7-18/h2-9,15H,10-14H2,1H3,(H,22,24)
InChIKeyOENGURGKUFGWEV-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.98
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 9492775) has the molecular formula C20H23FN2O3S2 and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID9492775
Molecular FormulaC20H23FN2O3S2
Molecular Weight422.55 g/mol
Exact Mass422.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H23FN2O3S2/c1-15-10-12-23(13-11-15)28(25,26)19-8-4-17(5-9-19)22-20(24)14-27-18-6-2-16(21)3-7-18/h2-9,15H,10-14H2,1H3,(H,22,24)
InChIKeyOENGURGKUFGWEV-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825380
2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 9428151
(2R)-2-(4-fluorophenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 1033136
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219341
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 2976005

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 9492775) is 2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is OENGURGKUFGWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S2/c1-15-10-12-23(13-11-15)28(25,26)19-8-4-17(5-9-19)22-20(24)14-27-18-6-2-16(21)3-7-18/h2-9,15H,10-14H2,1H3,(H,22,24).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 9492775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).