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

C23H25N3O5S2 — CID 46367204

IUPACN-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N4CCOCC4)ccc3n2)cc1
InChIInChI=1S/C23H25N3O5S2/c1-16-13-23(32-15-22(27)24-17-3-5-18(30-2)6-4-17)25-21-8-7-19(14-20(16)21)33(28,29)26-9-11-31-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyVKCNHCHCDDJHGI-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.30
Rot. Bonds7

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

N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide (PubChem CID 46367204) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
PubChem CID46367204
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC NameN-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N4CCOCC4)ccc3n2)cc1
InChIInChI=1S/C23H25N3O5S2/c1-16-13-23(32-15-22(27)24-17-3-5-18(30-2)6-4-17)25-21-8-7-19(14-20(16)21)33(28,29)26-9-11-31-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27)
InChIKeyVKCNHCHCDDJHGI-UHFFFAOYSA-N
XLogP3.30
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46367250
N-(4-ethylphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367214
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-(3-methoxyphenyl)acetamide
CID 46367251
N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367192
N-(3-methoxyphenyl)-2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]sulfanylacetamide
CID 46367234
2-[4-methyl-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-yl]sulfanyl-N-phenylacetamide
CID 46367228
N-(3-chloro-4-methylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 20930357
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-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4597948
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide (CID 46367204) is N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide is COc1ccc(NC(=O)CSc2cc(C)c3cc(S(=O)(=O)N4CCOCC4)ccc3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The InChIKey is VKCNHCHCDDJHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-16-13-23(32-15-22(27)24-17-3-5-18(30-2)6-4-17)25-21-8-7-19(14-20(16)21)33(28,29)26-9-11-31-12-10-26/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,27).
What are the key properties of N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide has a molecular weight of 487.60 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46367204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).