2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide

C25H23N3O2S — CID 46690378

IUPAC2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
SMILESCC(C)c1ccccc1-n1c(SC(C(N)=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H23N3O2S/c1-16(2)18-12-7-9-15-21(18)28-24(30)19-13-6-8-14-20(19)27-25(28)31-22(23(26)29)17-10-4-3-5-11-17/h3-16,22H,1-2H3,(H2,26,29)
InChIKeyQROHPHCVGYKRQI-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.83
Rot. Bonds6

About 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide

2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide (PubChem CID 46690378) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
PubChem CID46690378
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
SMILESCC(C)c1ccccc1-n1c(SC(C(N)=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H23N3O2S/c1-16(2)18-12-7-9-15-21(18)28-24(30)19-13-6-8-14-20(19)27-25(28)31-22(23(26)29)17-10-4-3-5-11-17/h3-16,22H,1-2H3,(H2,26,29)
InChIKeyQROHPHCVGYKRQI-UHFFFAOYSA-N
XLogP4.83
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46824602
(2S)-N-carbamoyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide
CID 2638425
2-(3-oxobutylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 7503627
2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 23960255
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3908699
2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 16601141
N-(4-acetamidophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide
CID 16533624
tert-butyl 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetate
CID 7840085
(2S)-N-(ethylcarbamoyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide
CID 2638428
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 2600171
4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 16533660
(2R)-2-phenyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41434250

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide (CID 46690378) is 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide is CC(C)c1ccccc1-n1c(SC(C(N)=O)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
The InChIKey is QROHPHCVGYKRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-16(2)18-12-7-9-15-21(18)28-24(30)19-13-6-8-14-20(19)27-25(28)31-22(23(26)29)17-10-4-3-5-11-17/h3-16,22H,1-2H3,(H2,26,29).
What are the key properties of 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide has a molecular weight of 429.55 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 46690378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).