N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C13H16N4O2S — CID 51096694

IUPACN-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCOc1ncccc1NC(=O)CSc1nccn1C
InChIInChI=1S/C13H16N4O2S/c1-3-19-12-10(5-4-6-14-12)16-11(18)9-20-13-15-7-8-17(13)2/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyFYUFLBBRLPUIBN-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.94
Rot. Bonds6

About N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 51096694) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID51096694
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCOc1ncccc1NC(=O)CSc1nccn1C
InChIInChI=1S/C13H16N4O2S/c1-3-19-12-10(5-4-6-14-12)16-11(18)9-20-13-15-7-8-17(13)2/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyFYUFLBBRLPUIBN-UHFFFAOYSA-N
XLogP1.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
[(2S)-1-amino-1-oxopropan-2-yl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 40561405
2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859
N-(2-chloro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23847583
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2945851
3-(1-methylimidazol-2-yl)sulfanyl-N-quinolin-8-ylpropanamide
CID 47074240
methyl 4-methyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate
CID 17429730
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
N-(3-hydroxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 581967
3-(benzimidazol-1-yl)-N-(2-ethoxy-3-pyridinyl)propanamide
CID 34879800
N-(2-hydroxyphenyl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 18138392
N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 95616754

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 51096694) is N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is CCOc1ncccc1NC(=O)CSc1nccn1C.
What is the InChIKey of N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is FYUFLBBRLPUIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-19-12-10(5-4-6-14-12)16-11(18)9-20-13-15-7-8-17(13)2/h4-8H,3,9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 292.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 51096694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).