N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide

C17H18N4O2S — CID 650019

IUPACN-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc2cccnc2n1C
InChIInChI=1S/C17H18N4O2S/c1-3-23-14-9-5-4-7-12(14)19-15(22)11-24-17-20-13-8-6-10-18-16(13)21(17)2/h4-10H,3,11H2,1-2H3,(H,19,22)
InChIKeyREVZJHNZTVFJPZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.10
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide

N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (PubChem CID 650019) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
PubChem CID650019
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nc2cccnc2n1C
InChIInChI=1S/C17H18N4O2S/c1-3-23-14-9-5-4-7-12(14)19-15(22)11-24-17-20-13-8-6-10-18-16(13)21(17)2/h4-10H,3,11H2,1-2H3,(H,19,22)
InChIKeyREVZJHNZTVFJPZ-UHFFFAOYSA-N
XLogP3.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (CID 650019) is N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1nc2cccnc2n1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The InChIKey is REVZJHNZTVFJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-23-14-9-5-4-7-12(14)19-15(22)11-24-17-20-13-8-6-10-18-16(13)21(17)2/h4-10H,3,11H2,1-2H3,(H,19,22).
What are the key properties of N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide has a molecular weight of 342.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is sourced from PubChem (CID 650019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).