3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H19N5O3S2 — CID 177357539

About 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 177357539) has the molecular formula C22H19N5O3S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 177357539
• Molecular Formula: C22H19N5O3S2
• Molecular Weight: 465.56 g/mol
• Exact Mass: 465.09
• IUPAC Name: 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: CC(C)c1cc(-c2ccoc2)c(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cn1
• InChI: InChI=1S/C22H19N5O3S2/c1-14(2)20-10-18(15-5-7-30-13-15)21(12-25-20)26-19-4-3-17(9-16(19)11-23)32(28,29)27-22-24-6-8-31-22/h3-10,12-14,26H,1-2H3,(H,24,27)
• InChIKey: MLGWYODIJDYWEX-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 120.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.56
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 177357539) is 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)c1cc(-c2ccoc2)c(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cn1.

What is the InChIKey of 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is MLGWYODIJDYWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S2/c1-14(2)20-10-18(15-5-7-30-13-15)21(12-25-20)26-19-4-3-17(9-16(19)11-23)32(28,29)27-22-24-6-8-31-22/h3-10,12-14,26H,1-2H3,(H,24,27).

What are the key properties of 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 465.56 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 177357539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).