N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide

C24H27N3O4S2 — CID 46367214

IUPACN-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N4CCOCC4)ccc3n2)cc1
InChIInChI=1S/C24H27N3O4S2/c1-3-18-4-6-19(7-5-18)25-23(28)16-32-24-14-17(2)21-15-20(8-9-22(21)26-24)33(29,30)27-10-12-31-13-11-27/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,25,28)
InChIKeyRONPMCXCEPMRDL-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.86
Rot. Bonds7

About N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide

N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide (PubChem CID 46367214) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
PubChem CID46367214
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC NameN-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
SMILESCCc1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N4CCOCC4)ccc3n2)cc1
InChIInChI=1S/C24H27N3O4S2/c1-3-18-4-6-19(7-5-18)25-23(28)16-32-24-14-17(2)21-15-20(8-9-22(21)26-24)33(29,30)27-10-12-31-13-11-27/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,25,28)
InChIKeyRONPMCXCEPMRDL-UHFFFAOYSA-N
XLogP3.86
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367204
N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367192
N-(4-ethoxyphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367129
2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46367250
N-(3-chloro-4-methylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 20930357
2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]sulfanyl-N-phenylacetamide
CID 46367228
N-(3,5-difluorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367154
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-(3-methoxyphenyl)-2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]sulfanylacetamide
CID 46367234
2-ethyl-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 4646569
N-(3,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17429620

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide (CID 46367214) is N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide is CCc1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N4CCOCC4)ccc3n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The InChIKey is RONPMCXCEPMRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-3-18-4-6-19(7-5-18)25-23(28)16-32-24-14-17(2)21-15-20(8-9-22(21)26-24)33(29,30)27-10-12-31-13-11-27/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,25,28).
What are the key properties of N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide has a molecular weight of 485.63 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46367214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).