N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide

C23H26N2O3S — CID 3208160

IUPACN-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C23H26N2O3S/c1-6-16-11-18-15(3)9-14(2)10-20(18)25-23(16)29-13-22(26)24-19-8-7-17(27-4)12-21(19)28-5/h7-12H,6,13H2,1-5H3,(H,24,26)
InChIKeyQMBPNTVZNMUGOE-UHFFFAOYSA-N
MW410.54 g/mol
LogP5.16
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide

N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 3208160) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide
PubChem CID3208160
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C23H26N2O3S/c1-6-16-11-18-15(3)9-14(2)10-20(18)25-23(16)29-13-22(26)24-19-8-7-17(27-4)12-21(19)28-5/h7-12H,6,13H2,1-5H3,(H,24,26)
InChIKeyQMBPNTVZNMUGOE-UHFFFAOYSA-N
XLogP5.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 1450272
N-(2,4-dimethoxyphenyl)-2-[(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
CID 3208334
N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169577
N-(2,4-dimethoxyphenyl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 1173456
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-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082670
N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 3171524
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1450256
N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1134598
N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440450
N-(2,4-dimethoxyphenyl)-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 6459909
N-(2,5-dimethylphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440391

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide (CID 3208160) is N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide is CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is QMBPNTVZNMUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-6-16-11-18-15(3)9-14(2)10-20(18)25-23(16)29-13-22(26)24-19-8-7-17(27-4)12-21(19)28-5/h7-12H,6,13H2,1-5H3,(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 410.54 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3208160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).