3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide

C25H23N3O4S2 — CID 35857707

About 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide (PubChem CID 35857707) has the molecular formula C25H23N3O4S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
• PubChem CID: 35857707
• Molecular Formula: C25H23N3O4S2
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.11
• IUPAC Name: 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1occc1CS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C25H23N3O4S2/c29-24(23-19(12-14-32-23)17-34(30,31)20-9-5-2-6-10-20)27-25-26-21-11-13-28(16-22(21)33-25)15-18-7-3-1-4-8-18/h1-10,12,14H,11,13,15-17H2,(H,26,27,29)
• InChIKey: JVFCWWLSXIVXKC-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide?

The IUPAC name of 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide (CID 35857707) is 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide.

What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide?

The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide is O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1occc1CS(=O)(=O)c1ccccc1.

What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide?

The InChIKey is JVFCWWLSXIVXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S2/c29-24(23-19(12-14-32-23)17-34(30,31)20-9-5-2-6-10-20)27-25-26-21-11-13-28(16-22(21)33-25)15-18-7-3-1-4-8-18/h1-10,12,14H,11,13,15-17H2,(H,26,27,29).

What are the key properties of 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide?

3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfonylmethyl)-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 35857707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).