3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide

C17H16ClN3O4S — CID 59704653

IUPAC3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
SMILESCSc1ccc(Nc2c(C(=O)NOCCO)oc3ccncc23)c(Cl)c1
InChIInChI=1S/C17H16ClN3O4S/c1-26-10-2-3-13(12(18)8-10)20-15-11-9-19-5-4-14(11)25-16(15)17(23)21-24-7-6-22/h2-5,8-9,20,22H,6-7H2,1H3,(H,21,23)
InChIKeyCIPLOZAHIPJKFI-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.60
Rot. Bonds7

About 3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide

3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 59704653) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
PubChem CID59704653
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
SMILESCSc1ccc(Nc2c(C(=O)NOCCO)oc3ccncc23)c(Cl)c1
InChIInChI=1S/C17H16ClN3O4S/c1-26-10-2-3-13(12(18)8-10)20-15-11-9-19-5-4-14(11)25-16(15)17(23)21-24-7-6-22/h2-5,8-9,20,22H,6-7H2,1H3,(H,21,23)
InChIKeyCIPLOZAHIPJKFI-UHFFFAOYSA-N
XLogP3.60
TPSA96.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.60
H-Bond Donors ≤ 53
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'}

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Related Compounds

3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 25013474
3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 88885981
ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636100
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 143636209
3-(2-chloro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 59596564
CID 88886007
CID 88886007
3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)furo[3,2-c]pyridine-2-carboxamide
CID 143636022
3-(2,5-difluoro-4-iodoanilino)-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]furo[3,2-c]pyridine-2-carboxamide
CID 59704573
3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide
CID 59704749
N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;ethane
CID 143636219
N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
CID 25013799

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide (CID 59704653) is 3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide is CSc1ccc(Nc2c(C(=O)NOCCO)oc3ccncc23)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is CIPLOZAHIPJKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c1-26-10-2-3-13(12(18)8-10)20-15-11-9-19-5-4-14(11)25-16(15)17(23)21-24-7-6-22/h2-5,8-9,20,22H,6-7H2,1H3,(H,21,23).
What are the key properties of 3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide?
3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 393.85 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 59704653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).