(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide

C17H20FN3O2S — CID 136827673

IUPAC(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc2ccc(F)cc2c(=O)[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H20FN3O2S/c1-10(15(22)19-12-5-3-2-4-6-12)24-17-20-14-8-7-11(18)9-13(14)16(23)21-17/h7-10,12H,2-6H2,1H3,(H,19,22)(H,20,21,23)/t10-/m1/s1
InChIKeyMUARNXGNKGIIPJ-SNVBAGLBSA-N
MW349.43 g/mol
LogP2.99
Rot. Bonds4

About (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide

(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide (PubChem CID 136827673) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
PubChem CID136827673
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nc2ccc(F)cc2c(=O)[nH]1)C(=O)NC1CCCCC1
InChIInChI=1S/C17H20FN3O2S/c1-10(15(22)19-12-5-3-2-4-6-12)24-17-20-14-8-7-11(18)9-13(14)16(23)21-17/h7-10,12H,2-6H2,1H3,(H,19,22)(H,20,21,23)/t10-/m1/s1
InChIKeyMUARNXGNKGIIPJ-SNVBAGLBSA-N
XLogP2.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686082
(2S)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-methylpropanamide
CID 136718124
(2R)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 136905107
(2S)-N-(ethylcarbamoyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136857258
6-fluoro-2-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-3H-quinazolin-4-one
CID 136905386
(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2085547
(2R)-N-cyclohexyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135905211
N-(4,4-difluorocyclohexyl)-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 162538672
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylpropanamide
CID 2627561
(2R)-N-cyclohexyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136807791
N-cyclopentyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]propanamide
CID 136684138
(2R)-2-[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-cyclohexylpropanamide
CID 135827624

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide (CID 136827673) is (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide is C[C@@H](Sc1nc2ccc(F)cc2c(=O)[nH]1)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
The InChIKey is MUARNXGNKGIIPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-10(15(22)19-12-5-3-2-4-6-12)24-17-20-14-8-7-11(18)9-13(14)16(23)21-17/h7-10,12H,2-6H2,1H3,(H,19,22)(H,20,21,23)/t10-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide?
(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 136827673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).