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

C28H27N3O2S — CID 46824602

IUPACN-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
SMILESCC(C)c1ccccc1-n1c(SC(C(=O)NC2CC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C28H27N3O2S/c1-18(2)21-12-7-9-15-24(21)31-27(33)22-13-6-8-14-23(22)30-28(31)34-25(19-10-4-3-5-11-19)26(32)29-20-16-17-20/h3-15,18,20,25H,16-17H2,1-2H3,(H,29,32)
InChIKeyUVDMQESEPPVCCA-UHFFFAOYSA-N
MW469.61 g/mol
LogP5.62
Rot. Bonds7

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

N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide (PubChem CID 46824602) has the molecular formula C28H27N3O2S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
PubChem CID46824602
Molecular FormulaC28H27N3O2S
Molecular Weight469.61 g/mol
Exact Mass469.18
IUPAC NameN-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
SMILESCC(C)c1ccccc1-n1c(SC(C(=O)NC2CC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C28H27N3O2S/c1-18(2)21-12-7-9-15-24(21)31-27(33)22-13-6-8-14-23(22)30-28(31)34-25(19-10-4-3-5-11-19)26(32)29-20-16-17-20/h3-15,18,20,25H,16-17H2,1-2H3,(H,29,32)
InChIKeyUVDMQESEPPVCCA-UHFFFAOYSA-N
XLogP5.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.61
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 17433230
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46690378
N-cyclopropyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46824360
N-cyclopropyl-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46825180
N-cyclopropyl-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46824543
(2S)-N-carbamoyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide
CID 2638425
N-[(1R)-1-cyclopropylethyl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 8578255
N-(4-acetamidophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide
CID 16533624
(2S)-N-cyclopentyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631822
2-(3-oxobutylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 7503627
N-cyclopropyl-2-(4-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16594395
(2S)-N-(ethylcarbamoyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide
CID 2638428

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide (CID 46824602) is N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide is CC(C)c1ccccc1-n1c(SC(C(=O)NC2CC2)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
The InChIKey is UVDMQESEPPVCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2S/c1-18(2)21-12-7-9-15-24(21)31-27(33)22-13-6-8-14-23(22)30-28(31)34-25(19-10-4-3-5-11-19)26(32)29-20-16-17-20/h3-15,18,20,25H,16-17H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide?
N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide has a molecular weight of 469.61 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 46824602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).