N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide

C22H24N2O4S — CID 1134598

IUPACN-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3cc(OC)ccc3OC)c(C)cc2c1
InChIInChI=1S/C22H24N2O4S/c1-5-28-17-6-8-18-15(11-17)10-14(2)22(24-18)29-13-21(25)23-19-12-16(26-3)7-9-20(19)27-4/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyYZNSHEXEIFIUPP-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.69
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 1134598) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide
PubChem CID1134598
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccc2nc(SCC(=O)Nc3cc(OC)ccc3OC)c(C)cc2c1
InChIInChI=1S/C22H24N2O4S/c1-5-28-17-6-8-18-15(11-17)10-14(2)22(24-18)29-13-21(25)23-19-12-16(26-3)7-9-20(19)27-4/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyYZNSHEXEIFIUPP-UHFFFAOYSA-N
XLogP4.69
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 3171524
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 1143750
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1450405
N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1176220
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 1143745
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3672751
N-(2,5-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 3208256
N-(2,4-dimethoxyphenyl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 1173456
2-(3-cyano-6-ethoxyquinolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 995950
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 1450272
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-(2,5-diethoxyphenyl)-2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 1172047

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide (CID 1134598) is N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide is CCOc1ccc2nc(SCC(=O)Nc3cc(OC)ccc3OC)c(C)cc2c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is YZNSHEXEIFIUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-5-28-17-6-8-18-15(11-17)10-14(2)22(24-18)29-13-21(25)23-19-12-16(26-3)7-9-20(19)27-4/h6-12H,5,13H2,1-4H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 412.51 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1134598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).