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

C19H22N4O3S — CID 644417

IUPACN-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3cccnc3n2CCOC)cc1
InChIInChI=1S/C19H22N4O3S/c1-3-26-15-8-6-14(7-9-15)21-17(24)13-27-19-22-16-5-4-10-20-18(16)23(19)11-12-25-2/h4-10H,3,11-13H2,1-2H3,(H,21,24)
InChIKeyXZDMWZWNGUGATF-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.21
Rot. Bonds9

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

N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (PubChem CID 644417) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
PubChem CID644417
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3cccnc3n2CCOC)cc1
InChIInChI=1S/C19H22N4O3S/c1-3-26-15-8-6-14(7-9-15)21-17(24)13-27-19-22-16-5-4-10-20-18(16)23(19)11-12-25-2/h4-10H,3,11-13H2,1-2H3,(H,21,24)
InChIKeyXZDMWZWNGUGATF-UHFFFAOYSA-N
XLogP3.21
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 1069686
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N-(5-(Acetylamino)-2-methoxyphenyl)-2-((4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
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N-(4-methoxyphenyl)-1-methyl-1H-imidazo[4,5-c]pyridin-4-amine
CID 15266433
2-{[4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(2-methoxyphenyl)acetamide
CID 662828
N-[3-[2-[4-(3-morpholin-4-ylpropoxy)anilino]purin-9-yl]phenyl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (CID 644417) is N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is CCOc1ccc(NC(=O)CSc2nc3cccnc3n2CCOC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The InChIKey is XZDMWZWNGUGATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-26-15-8-6-14(7-9-15)21-17(24)13-27-19-22-16-5-4-10-20-18(16)23(19)11-12-25-2/h4-10H,3,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide has a molecular weight of 386.48 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 644417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).