N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide

C21H22N2O3S — CID 1103381

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2cccc3cccnc23)cc1OC
InChIInChI=1S/C21H22N2O3S/c1-25-17-9-8-15(13-18(17)26-2)10-12-22-20(24)14-27-19-7-3-5-16-6-4-11-23-21(16)19/h3-9,11,13H,10,12,14H2,1-2H3,(H,22,24)
InChIKeyCXDQKBZJBGNQFW-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.70
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide (PubChem CID 1103381) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide
PubChem CID1103381
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2cccc3cccnc23)cc1OC
InChIInChI=1S/C21H22N2O3S/c1-25-17-9-8-15(13-18(17)26-2)10-12-22-20(24)14-27-19-7-3-5-16-6-4-11-23-21(16)19/h3-9,11,13H,10,12,14H2,1-2H3,(H,22,24)
InChIKeyCXDQKBZJBGNQFW-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N1-(3,4-dimethoxyphenethyl)-2-phenyl-2-(2-pyridylthio)acetamide
CID 433517
N-[4-(pentyloxy)phenyl]-2-(quinolin-8-ylsulfanyl)acetamide
CID 1964370
6,7-Dimethoxy-4-(4-methylsulfanyl-phenylamino)-quinoline-3-carbonitrile
CID 22466681
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 24988481
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-quinolin-2-ylprop-2-enamide
CID 2400350
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylindol-3-yl)sulfanylacetamide
CID 5054328
2-(quinolin-8-ylsulfanyl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
CID 9558356
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide
CID 9681503
1-[4-(6,7-Dimethoxy-quinolin-4-ylsulfanyl)-phenyl]-3-(4-methoxy-phenyl)-urea
CID 11224992
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(quinoline-8-sulfonyl)piperidine-4-carboxamide
CID 16001252
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-{3-[(4-fluorophenyl)methanesulfonyl]-1H-indol-1-YL}acetamide
CID 16021453
N-(3,4-dimethoxyphenethyl)-2-((1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-1H-indol-3-yl)sulfonyl)acetamide
CID 16194642

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide (CID 1103381) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide is COc1ccc(CCNC(=O)CSc2cccc3cccnc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is CXDQKBZJBGNQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-25-17-9-8-15(13-18(17)26-2)10-12-22-20(24)14-27-19-7-3-5-16-6-4-11-23-21(16)19/h3-9,11,13H,10,12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 382.49 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 1103381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).