(2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide

C22H25N3O2S — CID 8665827

IUPAC(2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide
SMILESCCc1ccccc1-n1c(S[C@@H](C)C(=O)NC(C)C)nc2ccccc2c1=O
InChIInChI=1S/C22H25N3O2S/c1-5-16-10-6-9-13-19(16)25-21(27)17-11-7-8-12-18(17)24-22(25)28-15(4)20(26)23-14(2)3/h6-15H,5H2,1-4H3,(H,23,26)/t15-/m0/s1
InChIKeyFAMYCYHQUUEBEA-HNNXBMFYSA-N
MW395.53 g/mol
LogP3.95
Rot. Bonds6

About (2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide

(2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide (PubChem CID 8665827) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is (2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide
PubChem CID8665827
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name(2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide
SMILESCCc1ccccc1-n1c(S[C@@H](C)C(=O)NC(C)C)nc2ccccc2c1=O
InChIInChI=1S/C22H25N3O2S/c1-5-16-10-6-9-13-19(16)25-21(27)17-11-7-8-12-18(17)24-22(25)28-15(4)20(26)23-14(2)3/h6-15H,5H2,1-4H3,(H,23,26)/t15-/m0/s1
InChIKeyFAMYCYHQUUEBEA-HNNXBMFYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(ethylcarbamoyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2638357
(2S)-N-(ethylcarbamoyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide
CID 2638428
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 4813958
N-carbamoyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 4316904
(2S)-N-(methylcarbamoyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8873683
(2R)-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 2615492
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
CID 8665777
(2S)-N-carbamoyl-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide
CID 2638425
N-(2,6-difluorophenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 55416975
methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1432217
(2S)-N-cyclopentyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2631822
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8727328

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide (CID 8665827) is (2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide is CCc1ccccc1-n1c(S[C@@H](C)C(=O)NC(C)C)nc2ccccc2c1=O.
What is the InChIKey of (2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide?
The InChIKey is FAMYCYHQUUEBEA-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-5-16-10-6-9-13-19(16)25-21(27)17-11-7-8-12-18(17)24-22(25)28-15(4)20(26)23-14(2)3/h6-15H,5H2,1-4H3,(H,23,26)/t15-/m0/s1.
What are the key properties of (2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide?
(2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide has a molecular weight of 395.53 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 8665827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).