N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide

C23H27N3O3S — CID 7840089

About N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide

N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide (PubChem CID 7840089) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
• PubChem CID: 7840089
• Molecular Formula: C23H27N3O3S
• Molecular Weight: 425.55 g/mol
• Exact Mass: 425.18
• IUPAC Name: N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
• SMILES: COC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(C)C
• InChI: InChI=1S/C23H27N3O3S/c1-15(2)17-9-6-8-12-20(17)26-22(28)18-10-5-7-11-19(18)25-23(26)30-14-21(27)24-16(3)13-29-4/h5-12,15-16H,13-14H2,1-4H3,(H,24,27)/t16-/m1/s1
• InChIKey: QIMOHMCWXPQLCT-MRXNPFEDSA-N
• XLogP: 3.75
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.55
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?

The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide (CID 7840089) is N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide.

What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?

The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide is COC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C(C)C.

What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?

The InChIKey is QIMOHMCWXPQLCT-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-15(2)17-9-6-8-12-20(17)26-22(28)18-10-5-7-11-19(18)25-23(26)30-14-21(27)24-16(3)13-29-4/h5-12,15-16H,13-14H2,1-4H3,(H,24,27)/t16-/m1/s1.

What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide?

N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide has a molecular weight of 425.55 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 7840089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).