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

C22H22ClN3O4S2 — CID 46367192

IUPACN-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2Cl)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C22H22ClN3O4S2/c1-15-12-22(31-14-21(27)24-20-5-3-2-4-18(20)23)25-19-7-6-16(13-17(15)19)32(28,29)26-8-10-30-11-9-26/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)
InChIKeyPPGPKAQJUAZRGI-UHFFFAOYSA-N
MW492.02 g/mol
LogP3.95
Rot. Bonds6

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

N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide (PubChem CID 46367192) has the molecular formula C22H22ClN3O4S2 and a molecular weight of 492.02 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
PubChem CID46367192
Molecular FormulaC22H22ClN3O4S2
Molecular Weight492.02 g/mol
Exact Mass491.07
IUPAC NameN-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2Cl)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C22H22ClN3O4S2/c1-15-12-22(31-14-21(27)24-20-5-3-2-4-18(20)23)25-19-7-6-16(13-17(15)19)32(28,29)26-8-10-30-11-9-26/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)
InChIKeyPPGPKAQJUAZRGI-UHFFFAOYSA-N
XLogP3.95
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-chloro-4-methylphenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 20930357
N-(3-chlorophenyl)-2-(4-methyl-6-piperidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide
CID 46367156
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
2-[6-(azepan-1-ylsulfonyl)-4-methylquinolin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46367250
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 42118183
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
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 35942255
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 27195451

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide (CID 46367192) is N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2ccccc2Cl)nc2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
The InChIKey is PPGPKAQJUAZRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S2/c1-15-12-22(31-14-21(27)24-20-5-3-2-4-18(20)23)25-19-7-6-16(13-17(15)19)32(28,29)26-8-10-30-11-9-26/h2-7,12-13H,8-11,14H2,1H3,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide has a molecular weight of 492.02 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methyl-6-morpholin-4-ylsulfonylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46367192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).