N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide

C23H24N4O2S — CID 8665831

IUPACN-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
SMILESCCc1ccccc1-n1c(SCC(=O)N(C)C(C)(C)C#N)nc2ccccc2c1=O
InChIInChI=1S/C23H24N4O2S/c1-5-16-10-6-9-13-19(16)27-21(29)17-11-7-8-12-18(17)25-22(27)30-14-20(28)26(4)23(2,3)15-24/h6-13H,5,14H2,1-4H3
InChIKeyXUDQZCTVZFODRY-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.80
Rot. Bonds6

About N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide

N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide (PubChem CID 8665831) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
PubChem CID8665831
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
SMILESCCc1ccccc1-n1c(SCC(=O)N(C)C(C)(C)C#N)nc2ccccc2c1=O
InChIInChI=1S/C23H24N4O2S/c1-5-16-10-6-9-13-19(16)27-21(29)17-11-7-8-12-18(17)25-22(27)30-14-20(28)26(4)23(2,3)15-24/h6-13H,5,14H2,1-4H3
InChIKeyXUDQZCTVZFODRY-UHFFFAOYSA-N
XLogP3.80
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide with MolForge

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Related Compounds

N-(2-cyanoethyl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 8665771
methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1432217
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 8665789
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
CID 8665777
N-(2-cyanoethyl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 7418960
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3908699
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 8665776
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(2-ethoxyphenyl)quinazolin-4-one
CID 2595210
N-[(2S)-butan-2-yl]-N-[(2R)-butan-2-yl]-2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 25481798
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 2699823
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 8857939
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-methylpropyl)acetamide
CID 3988661

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide (CID 8665831) is N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide is CCc1ccccc1-n1c(SCC(=O)N(C)C(C)(C)C#N)nc2ccccc2c1=O.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide?
The InChIKey is XUDQZCTVZFODRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-5-16-10-6-9-13-19(16)27-21(29)17-11-7-8-12-18(17)25-22(27)30-14-20(28)26(4)23(2,3)15-24/h6-13H,5,14H2,1-4H3.
What are the key properties of N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide?
N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide has a molecular weight of 420.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 8665831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).