N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide

C21H22N2O3S — CID 2084877

IUPACN-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
SMILESCOCCNC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1
InChIInChI=1S/C21H22N2O3S/c1-25-11-10-22-20(24)14-27-21-13-18(15-6-4-3-5-7-15)17-9-8-16(26-2)12-19(17)23-21/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,24)
InChIKeyILXYJEGTHJVELT-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.77
Rot. Bonds8

About N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide

N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide (PubChem CID 2084877) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
PubChem CID2084877
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
SMILESCOCCNC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1
InChIInChI=1S/C21H22N2O3S/c1-25-11-10-22-20(24)14-27-21-13-18(15-6-4-3-5-7-15)17-9-8-16(26-2)12-19(17)23-21/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,24)
InChIKeyILXYJEGTHJVELT-UHFFFAOYSA-N
XLogP3.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide
CID 855603
N-cyclopentyl-2-[(6-methoxy-3-methyl-2-quinolinyl)thio]acetamide
CID 862401
6,7-Dimethoxy-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-quinoline-3-carbonitrile
CID 1450753
2-[3-(4-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
CID 13200248
2-(2-Dimethylaminoethylthio)-4-methoxy-3-o-tolylquinoline hydrochloride
CID 14001273
1-(7-Methoxy-2-(thiophen-3-yl)quinolin-3-yl)-n-(4-methylbenzyl)methanamine
CID 52941356
7-Ethoxy-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-quinoline-3-carbonitrile
CID 648826
7-Ethoxy-2-[2-(4-methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-quinoline-3-carbonitrile
CID 648869
N-(4-methoxyphenyl)-3-(2-quinolinylthio)propanamide
CID 890011
2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 1004498
N-benzyl-2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanylacetamide
CID 1004501
N-(2,6-dimethylphenyl)-2-[(6-methoxy-2-methyl-4-quinolinyl)thio]acetamide
CID 1162986

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide (CID 2084877) is N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide is COCCNC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1.
What is the InChIKey of N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
The InChIKey is ILXYJEGTHJVELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-25-11-10-22-20(24)14-27-21-13-18(15-6-4-3-5-7-15)17-9-8-16(26-2)12-19(17)23-21/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide?
N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide has a molecular weight of 382.49 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2084877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).