4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

C21H19N3O3S — CID 46943543

IUPAC4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccnc3c2CC(C(=O)NCc2cccs2)O3)c1
InChIInChI=1S/C21H19N3O3S/c1-13(25)24-15-5-2-4-14(10-15)17-7-8-22-21-18(17)11-19(27-21)20(26)23-12-16-6-3-9-28-16/h2-10,19H,11-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyZTULGOBPAFZQGN-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.39
Rot. Bonds5

About 4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (PubChem CID 46943543) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
PubChem CID46943543
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccnc3c2CC(C(=O)NCc2cccs2)O3)c1
InChIInChI=1S/C21H19N3O3S/c1-13(25)24-15-5-2-4-14(10-15)17-7-8-22-21-18(17)11-19(27-21)20(26)23-12-16-6-3-9-28-16/h2-10,19H,11-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyZTULGOBPAFZQGN-UHFFFAOYSA-N
XLogP3.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (CID 46943543) is 4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is CC(=O)Nc1cccc(-c2ccnc3c2CC(C(=O)NCc2cccs2)O3)c1.
What is the InChIKey of 4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZTULGOBPAFZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13(25)24-15-5-2-4-14(10-15)17-7-8-22-21-18(17)11-19(27-21)20(26)23-12-16-6-3-9-28-16/h2-10,19H,11-12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46943543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).