N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide

C17H23N3O3S — CID 17459407

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide
SMILESCCn1ccnc1SCC(=O)NC(C)c1cc(OC)ccc1OC
InChIInChI=1S/C17H23N3O3S/c1-5-20-9-8-18-17(20)24-11-16(21)19-12(2)14-10-13(22-3)6-7-15(14)23-4/h6-10,12H,5,11H2,1-4H3,(H,19,21)
InChIKeyVEOBNHJWTHXGOF-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.89
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide (PubChem CID 17459407) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide
PubChem CID17459407
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide
SMILESCCn1ccnc1SCC(=O)NC(C)c1cc(OC)ccc1OC
InChIInChI=1S/C17H23N3O3S/c1-5-20-9-8-18-17(20)24-11-16(21)19-12(2)14-10-13(22-3)6-7-15(14)23-4/h6-10,12H,5,11H2,1-4H3,(H,19,21)
InChIKeyVEOBNHJWTHXGOF-UHFFFAOYSA-N
XLogP2.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 46828934
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
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897232
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51207601
2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791044
2-(1-ethylimidazol-2-yl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 40791045
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
CID 46435817
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 40749914
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 51214703
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 55426669

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide (CID 17459407) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide is CCn1ccnc1SCC(=O)NC(C)c1cc(OC)ccc1OC.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
The InChIKey is VEOBNHJWTHXGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-5-20-9-8-18-17(20)24-11-16(21)19-12(2)14-10-13(22-3)6-7-15(14)23-4/h6-10,12H,5,11H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide has a molecular weight of 349.46 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 17459407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).