6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide

C19H19ClN2O5S — CID 148586278

IUPAC6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
SMILESCSc1ccc(Cc2c(C(=O)NOCCO)c3occc3c(=O)n2C)c(Cl)c1
InChIInChI=1S/C19H19ClN2O5S/c1-22-15(9-11-3-4-12(28-2)10-14(11)20)16(18(24)21-27-8-6-23)17-13(19(22)25)5-7-26-17/h3-5,7,10,23H,6,8-9H2,1-2H3,(H,21,24)
InChIKeyMZTJIYSGBVGSPG-UHFFFAOYSA-N
MW422.89 g/mol
LogP2.75
Rot. Bonds7

About 6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide

6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide (PubChem CID 148586278) has the molecular formula C19H19ClN2O5S and a molecular weight of 422.89 g/mol. Its IUPAC name is 6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
PubChem CID148586278
Molecular FormulaC19H19ClN2O5S
Molecular Weight422.89 g/mol
Exact Mass422.07
IUPAC Name6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
SMILESCSc1ccc(Cc2c(C(=O)NOCCO)c3occc3c(=O)n2C)c(Cl)c1
InChIInChI=1S/C19H19ClN2O5S/c1-22-15(9-11-3-4-12(28-2)10-14(11)20)16(18(24)21-27-8-6-23)17-13(19(22)25)5-7-26-17/h3-5,7,10,23H,6,8-9H2,1-2H3,(H,21,24)
InChIKeyMZTJIYSGBVGSPG-UHFFFAOYSA-N
XLogP2.75
TPSA93.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 59704653
1-(2-chloro-4-methylsulfanylphenyl)propan-2-one
CID 130894787
N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide
CID 79676305
6-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-5-methyl-2-(morpholin-4-ylmethyl)-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123951183
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19292310
N-[2-(bromomethyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 114309537
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
2-[3-chloro-4-(hydroxymethyl)phenyl]sulfanyl-N-propylacetamide
CID 114234815
6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
CID 58368282
3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581391

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide (CID 148586278) is 6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide is CSc1ccc(Cc2c(C(=O)NOCCO)c3occc3c(=O)n2C)c(Cl)c1.
What is the InChIKey of 6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The InChIKey is MZTJIYSGBVGSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5S/c1-22-15(9-11-3-4-12(28-2)10-14(11)20)16(18(24)21-27-8-6-23)17-13(19(22)25)5-7-26-17/h3-5,7,10,23H,6,8-9H2,1-2H3,(H,21,24).
What are the key properties of 6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide has a molecular weight of 422.89 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-4-methylsulfanylphenyl)methyl]-N-(2-hydroxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 148586278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).