N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide

C₂₃H₂₅N₃O₃S — CID 7515487

About N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide

N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide (PubChem CID 7515487) has the molecular formula C₂₃H₂₅N₃O₃S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
• PubChem CID: 7515487
• Molecular Formula: C₂₃H₂₅N₃O₃S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.16
• IUPAC Name: N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
• SMILES: Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)c1
• InChI: InChI=1S/C23H25N3O3S/c1-15-10-16(2)12-17(11-15)24-21(27)14-30-23-25-20-8-4-3-7-19(20)22(28)26(23)13-18-6-5-9-29-18/h3-4,7-8,10-12,18H,5-6,9,13-14H2,1-2H3,(H,24,27)/t18-/m1/s1
• InChIKey: OVEXRAOAFACZOS-GOSISDBHSA-N
• XLogP: 3.92
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?

The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide (CID 7515487) is N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide.

What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?

The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide is Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)c1.

What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?

The InChIKey is OVEXRAOAFACZOS-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-15-10-16(2)12-17(11-15)24-21(27)14-30-23-25-20-8-4-3-7-19(20)22(28)26(23)13-18-6-5-9-29-18/h3-4,7-8,10-12,18H,5-6,9,13-14H2,1-2H3,(H,24,27)/t18-/m1/s1.

What are the key properties of N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide?

N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide has a molecular weight of 423.54 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 7515487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7515487 — identifiers, structure, computed properties (public domain)

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