2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide

C12H21N3O2S — CID 135110031

IUPAC2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
SMILESCCSC(C)C(=O)NCc1cncn1CCOC
InChIInChI=1S/C12H21N3O2S/c1-4-18-10(2)12(16)14-8-11-7-13-9-15(11)5-6-17-3/h7,9-10H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyJGYUUIZVCJKQBQ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.29
Rot. Bonds8

About 2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide

2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide (PubChem CID 135110031) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
PubChem CID135110031
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
SMILESCCSC(C)C(=O)NCc1cncn1CCOC
InChIInChI=1S/C12H21N3O2S/c1-4-18-10(2)12(16)14-8-11-7-13-9-15(11)5-6-17-3/h7,9-10H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyJGYUUIZVCJKQBQ-UHFFFAOYSA-N
XLogP1.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 126431414
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 119066697
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 118788982
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91777901
2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
CID 118771778
1-(2-methoxyethyl)-5-(2-methylpropyl)imidazole
CID 139364682
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide
CID 122563016
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
CID 154921023
4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
CID 91773799
(2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126439982

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide?
The IUPAC name of 2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide (CID 135110031) is 2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide?
The canonical SMILES for 2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide is CCSC(C)C(=O)NCc1cncn1CCOC.
What is the InChIKey of 2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide?
The InChIKey is JGYUUIZVCJKQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-18-10(2)12(16)14-8-11-7-13-9-15(11)5-6-17-3/h7,9-10H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of 2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide?
2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide has a molecular weight of 271.39 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide is sourced from PubChem (CID 135110031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).