2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide

C24H27N3O3S — CID 112781706

IUPAC2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C24H27N3O3S/c1-16(2)18-9-3-5-11-20(18)25-22(28)15-31-24-26-21-12-6-4-10-19(21)23(29)27(24)14-17-8-7-13-30-17/h3-6,9-12,16-17H,7-8,13-15H2,1-2H3,(H,25,28)
InChIKeyPWDZOAXGXWKMPA-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.43
Rot. Bonds7

About 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide

2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 112781706) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
PubChem CID112781706
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1
InChIInChI=1S/C24H27N3O3S/c1-16(2)18-9-3-5-11-20(18)25-22(28)15-31-24-26-21-12-6-4-10-19(21)23(29)27(24)14-17-8-7-13-30-17/h3-6,9-12,16-17H,7-8,13-15H2,1-2H3,(H,25,28)
InChIKeyPWDZOAXGXWKMPA-UHFFFAOYSA-N
XLogP4.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide with MolForge

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Related Compounds

N-(2-methylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 3169104
N-(2,3-dimethylphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 1176544
N-(2-chlorophenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 1071954
N-(2-methoxyphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 3145208
N-(2-cyanophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 4588733
N-[(2S)-3-methylbutan-2-yl]-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7869030
N-(1-cyclopropylethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 51215577
2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 1176582
N-(3,5-dimethylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 4020756
N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515487
N-(3,4-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7031260
N-(4-chlorophenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 1155469

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide (CID 112781706) is 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1.
What is the InChIKey of 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is PWDZOAXGXWKMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16(2)18-9-3-5-11-20(18)25-22(28)15-31-24-26-21-12-6-4-10-19(21)23(29)27(24)14-17-8-7-13-30-17/h3-6,9-12,16-17H,7-8,13-15H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide?
2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 437.57 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 112781706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).