N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide

C23H24ClN3O3S2 — CID 46367156

IUPACN-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C23H24ClN3O3S2/c1-16-12-23(31-15-22(28)25-18-7-5-6-17(24)13-18)26-21-9-8-19(14-20(16)21)32(29,30)27-10-3-2-4-11-27/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,25,28)
InChIKeyGIDBNWXTOYDWKY-UHFFFAOYSA-N
MW490.05 g/mol
LogP5.10
Rot. Bonds6

About N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide

N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide (PubChem CID 46367156) has the molecular formula C23H24ClN3O3S2 and a molecular weight of 490.05 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
PubChem CID46367156
Molecular FormulaC23H24ClN3O3S2
Molecular Weight490.05 g/mol
Exact Mass489.09
IUPAC NameN-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCCCC3)cc12
InChIInChI=1S/C23H24ClN3O3S2/c1-16-12-23(31-15-22(28)25-18-7-5-6-17(24)13-18)26-21-9-8-19(14-20(16)21)32(29,30)27-10-3-2-4-11-27/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,25,28)
InChIKeyGIDBNWXTOYDWKY-UHFFFAOYSA-N
XLogP5.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.05
LogP ≤ 55.10
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-(3-methoxyphenyl)acetamide
CID 46367251
N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367154
2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46367250
2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]sulfanyl-N-phenylacetamide
CID 46367228
N-(4-ethoxyphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367129
N-(3-methoxyphenyl)-2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]sulfanylacetamide
CID 46367234
N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367192
N-(3-chlorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779532
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-chlorophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900052

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide (CID 46367156) is N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCCCC3)cc12.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The InChIKey is GIDBNWXTOYDWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S2/c1-16-12-23(31-15-22(28)25-18-7-5-6-17(24)13-18)26-21-9-8-19(14-20(16)21)32(29,30)27-10-3-2-4-11-27/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide?
N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide has a molecular weight of 490.05 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46367156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).