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

C16H18N4O3S — CID 650868

IUPACN-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)NCc2ccco2)nc2cccnc21
InChIInChI=1S/C16H18N4O3S/c1-22-9-7-20-15-13(5-2-6-17-15)19-16(20)24-11-14(21)18-10-12-4-3-8-23-12/h2-6,8H,7,9-11H2,1H3,(H,18,21)
InChIKeyRDDFUOOXPVHIRT-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.08
Rot. Bonds8

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

N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (PubChem CID 650868) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
PubChem CID650868
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)NCc2ccco2)nc2cccnc21
InChIInChI=1S/C16H18N4O3S/c1-22-9-7-20-15-13(5-2-6-17-15)19-16(20)24-11-14(21)18-10-12-4-3-8-23-12/h2-6,8H,7,9-11H2,1H3,(H,18,21)
InChIKeyRDDFUOOXPVHIRT-UHFFFAOYSA-N
XLogP2.08
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide with MolForge

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Related Compounds

methyl 3-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 7644654
N-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]furan-2-carboxamide
CID 53013036
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2276278
2-[3-(4-methoxybutyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79289245
N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 38836757
N-(furan-2-ylmethyl)-2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2706214
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 1153720
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 22589701
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide (CID 650868) is N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is COCCn1c(SCC(=O)NCc2ccco2)nc2cccnc21.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
The InChIKey is RDDFUOOXPVHIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-22-9-7-20-15-13(5-2-6-17-15)19-16(20)24-11-14(21)18-10-12-4-3-8-23-12/h2-6,8H,7,9-11H2,1H3,(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide has a molecular weight of 346.41 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 650868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).