3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

C21H24N4O5S2 — CID 58967432

About 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 58967432) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
• PubChem CID: 58967432
• Molecular Formula: C21H24N4O5S2
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.12
• IUPAC Name: 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
• SMILES: CS(=O)(=O)c1ccc2[nH]c(=O)n(C(CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1
• InChI: InChI=1S/C21H24N4O5S2/c1-32(29,30)14-7-8-16-15(12-14)19(27)25(21(28)23-16)17(11-13-5-3-2-4-6-13)18(26)24-20-22-9-10-31-20/h7-10,12-13,17H,2-6,11H2,1H3,(H,23,28)(H,22,24,26)
• InChIKey: GVBGUXLSKOULIQ-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 130.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 58967432) is 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is CS(=O)(=O)c1ccc2[nH]c(=O)n(C(CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1.

What is the InChIKey of 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

The InChIKey is GVBGUXLSKOULIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-32(29,30)14-7-8-16-15(12-14)19(27)25(21(28)23-16)17(11-13-5-3-2-4-6-13)18(26)24-20-22-9-10-31-20/h7-10,12-13,17H,2-6,11H2,1H3,(H,23,28)(H,22,24,26).

What are the key properties of 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?

3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 476.58 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-2-(6-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 58967432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).