N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide

C21H22N2O3S — CID 51214703

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CSc2ccc3ccccc3n2)c1
InChIInChI=1S/C21H22N2O3S/c1-14(17-12-16(25-2)9-10-19(17)26-3)22-20(24)13-27-21-11-8-15-6-4-5-7-18(15)23-21/h4-12,14H,13H2,1-3H3,(H,22,24)
InChIKeyNFGCZYMVIIHYGN-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.22
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 51214703) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
PubChem CID51214703
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CSc2ccc3ccccc3n2)c1
InChIInChI=1S/C21H22N2O3S/c1-14(17-12-16(25-2)9-10-19(17)26-3)22-20(24)13-27-21-11-8-15-6-4-5-7-18(15)23-21/h4-12,14H,13H2,1-3H3,(H,22,24)
InChIKeyNFGCZYMVIIHYGN-UHFFFAOYSA-N
XLogP4.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51207601
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 60601044
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 8806676
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 46626783
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 46606087
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897232
N-[1-(2,4-difluorophenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 42984842
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 46828934

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide (CID 51214703) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide is COc1ccc(OC)c(C(C)NC(=O)CSc2ccc3ccccc3n2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is NFGCZYMVIIHYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14(17-12-16(25-2)9-10-19(17)26-3)22-20(24)13-27-21-11-8-15-6-4-5-7-18(15)23-21/h4-12,14H,13H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 382.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 51214703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).