N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide

C22H23N3O5S2 — CID 35942255

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C22H23N3O5S2/c1-29-20-8-7-17(32(27,28)25-10-12-30-13-11-25)14-19(20)23-21(26)15-31-22-9-6-16-4-2-3-5-18(16)24-22/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyPMTJNXBKAAXMGX-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.00
Rot. Bonds7

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 35942255) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID35942255
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C22H23N3O5S2/c1-29-20-8-7-17(32(27,28)25-10-12-30-13-11-25)14-19(20)23-21(26)15-31-22-9-6-16-4-2-3-5-18(16)24-22/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyPMTJNXBKAAXMGX-UHFFFAOYSA-N
XLogP3.00
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-quinolin-2-ylsulfanylacetamide
CID 17421537
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969524
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2480101
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 4964722
2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 24649288
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2361261

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide (CID 35942255) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is PMTJNXBKAAXMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-29-20-8-7-17(32(27,28)25-10-12-30-13-11-25)14-19(20)23-21(26)15-31-22-9-6-16-4-2-3-5-18(16)24-22/h2-9,14H,10-13,15H2,1H3,(H,23,26).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 473.58 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 35942255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).