N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide

C24H18N2O4S2 — CID 112797878

About N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide

N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide (PubChem CID 112797878) has the molecular formula C24H18N2O4S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide
• PubChem CID: 112797878
• Molecular Formula: C24H18N2O4S2
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.07
• IUPAC Name: N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide
• SMILES: O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cc2sc3ccccc3c2s1
• InChI: InChI=1S/C24H18N2O4S2/c27-23(19-13-18-22(32-19)15-6-2-4-8-17(15)31-18)25-20-14-5-1-3-7-16(14)30-21(20)24(28)26-9-11-29-12-10-26/h1-8,13H,9-12H2,(H,25,27)
• InChIKey: LAZZIZBOMNBEJY-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide?

The IUPAC name of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide (CID 112797878) is N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide.

What is the SMILES notation for N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide?

The canonical SMILES for N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide is O=C(Nc1c(C(=O)N2CCOCC2)oc2ccccc12)c1cc2sc3ccccc3c2s1.

What is the InChIKey of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide?

The InChIKey is LAZZIZBOMNBEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S2/c27-23(19-13-18-22(32-19)15-6-2-4-8-17(15)31-18)25-20-14-5-1-3-7-16(14)30-21(20)24(28)26-9-11-29-12-10-26/h1-8,13H,9-12H2,(H,25,27).

What are the key properties of N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide?

N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]thieno[3,2-b][1]benzothiole-2-carboxamide is sourced from PubChem (CID 112797878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).