(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

C15H16F3N3O2S — CID 37148615

IUPAC(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCn1c(S[C@@H](C)C(=O)NCC(F)(F)F)nc2ccccc2c1=O
InChIInChI=1S/C15H16F3N3O2S/c1-3-21-13(23)10-6-4-5-7-11(10)20-14(21)24-9(2)12(22)19-8-15(16,17)18/h4-7,9H,3,8H2,1-2H3,(H,19,22)/t9-/m0/s1
InChIKeyZNLNQADILUBMKK-VIFPVBQESA-N
MW359.37 g/mol
LogP2.58
Rot. Bonds5

About (2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 37148615) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is (2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID37148615
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC Name(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCn1c(S[C@@H](C)C(=O)NCC(F)(F)F)nc2ccccc2c1=O
InChIInChI=1S/C15H16F3N3O2S/c1-3-21-13(23)10-6-4-5-7-11(10)20-14(21)24-9(2)12(22)19-8-15(16,17)18/h4-7,9H,3,8H2,1-2H3,(H,19,22)/t9-/m0/s1
InChIKeyZNLNQADILUBMKK-VIFPVBQESA-N
XLogP2.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide with MolForge

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Related Compounds

2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 112780256
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 51234387
(2S)-N-cyclopropyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876048
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 112779482
(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-4-ylpropanamide
CID 23858762
3-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 7876084
(2R)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603417
(2S)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603418
2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 23942562
(2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674923

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 37148615) is (2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is CCn1c(S[C@@H](C)C(=O)NCC(F)(F)F)nc2ccccc2c1=O.
What is the InChIKey of (2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZNLNQADILUBMKK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c1-3-21-13(23)10-6-4-5-7-11(10)20-14(21)24-9(2)12(22)19-8-15(16,17)18/h4-7,9H,3,8H2,1-2H3,(H,19,22)/t9-/m0/s1.
What are the key properties of (2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 359.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 37148615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).