N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide

C23H23F2N3O3S2 — CID 46367154

IUPACN-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cc(F)cc(F)c2)nc2ccc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C23H23F2N3O3S2/c1-15-9-23(32-14-22(29)26-18-11-16(24)10-17(25)12-18)27-21-6-5-19(13-20(15)21)33(30,31)28-7-3-2-4-8-28/h5-6,9-13H,2-4,7-8,14H2,1H3,(H,26,29)
InChIKeyGMLYYSGOPPJCBL-UHFFFAOYSA-N
MW491.59 g/mol
LogP4.73
Rot. Bonds6

About N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide

N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide (PubChem CID 46367154) has the molecular formula C23H23F2N3O3S2 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
PubChem CID46367154
Molecular FormulaC23H23F2N3O3S2
Molecular Weight491.59 g/mol
Exact Mass491.11
IUPAC NameN-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cc(F)cc(F)c2)nc2ccc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C23H23F2N3O3S2/c1-15-9-23(32-14-22(29)26-18-11-16(24)10-17(25)12-18)27-21-6-5-19(13-20(15)21)33(30,31)28-7-3-2-4-8-28/h5-6,9-13H,2-4,7-8,14H2,1H3,(H,26,29)
InChIKeyGMLYYSGOPPJCBL-UHFFFAOYSA-N
XLogP4.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 20930357
2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46367250
N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367156
2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 46367251
N-(4-ethoxyphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367129
2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]sulfanyl-N-phenylacetamide
CID 46367228
N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367192
N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367214
N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367204
N-(3-methoxyphenyl)-2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]sulfanylacetamide
CID 46367234
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide
CID 42067264
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176176

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide (CID 46367154) is N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2cc(F)cc(F)c2)nc2ccc(S(=O)(=O)N3CCCCC3)cc12.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The InChIKey is GMLYYSGOPPJCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3S2/c1-15-9-23(32-14-22(29)26-18-11-16(24)10-17(25)12-18)27-21-6-5-19(13-20(15)21)33(30,31)28-7-3-2-4-8-28/h5-6,9-13H,2-4,7-8,14H2,1H3,(H,26,29).
What are the key properties of N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide?
N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide has a molecular weight of 491.59 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46367154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).