N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide

C22H24N2O2S — CID 1169577

IUPACN-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C
InChIInChI=1S/C22H24N2O2S/c1-5-26-20-9-7-6-8-18(20)23-21(25)13-27-22-16(4)12-17-15(3)10-14(2)11-19(17)24-22/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyZERUEAKYTGSSIH-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.29
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide

N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 1169577) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
PubChem CID1169577
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C
InChIInChI=1S/C22H24N2O2S/c1-5-26-20-9-7-6-8-18(20)23-21(25)13-27-22-16(4)12-17-15(3)10-14(2)11-19(17)24-22/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyZERUEAKYTGSSIH-UHFFFAOYSA-N
XLogP5.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1169576
N-(2-ethoxyphenyl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 1173474
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 1450256
N-(2,4-dimethoxyphenyl)-2-(3-ethyl-5,7-dimethylquinolin-2-yl)sulfanylacetamide
CID 3208160
N-(4-acetylphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1154238
N-(2-ethoxyphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 46302952
N-(2-ethoxyphenyl)-2-[[1-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]acetamide
CID 53028785
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 106678992
N-(2-ethoxyphenyl)-4,6-dimethyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 23609909
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide
CID 1176179
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide (CID 1169577) is N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is ZERUEAKYTGSSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-5-26-20-9-7-6-8-18(20)23-21(25)13-27-22-16(4)12-17-15(3)10-14(2)11-19(17)24-22/h6-12H,5,13H2,1-4H3,(H,23,25).
What are the key properties of N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide?
N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 380.51 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(3,5,7-trimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1169577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).