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

C17H18N4O3S — CID 654337

IUPACN-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc3cccnc3n2C)c1
InChIInChI=1S/C17H18N4O3S/c1-21-16-12(5-4-8-18-16)20-17(21)25-10-15(22)19-13-9-11(23-2)6-7-14(13)24-3/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyMJNTWOVNJQBXNX-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.72
Rot. Bonds6

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

N-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (PubChem CID 654337) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
PubChem CID654337
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc3cccnc3n2C)c1
InChIInChI=1S/C17H18N4O3S/c1-21-16-12(5-4-8-18-16)20-17(21)25-10-15(22)19-13-9-11(23-2)6-7-14(13)24-3/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyMJNTWOVNJQBXNX-UHFFFAOYSA-N
XLogP2.72
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (CID 654337) is N-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2nc3cccnc3n2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The InChIKey is MJNTWOVNJQBXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-21-16-12(5-4-8-18-16)20-17(21)25-10-15(22)19-13-9-11(23-2)6-7-14(13)24-3/h4-9H,10H2,1-3H3,(H,19,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide has a molecular weight of 358.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is sourced from PubChem (CID 654337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).