N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide

C24H20FN3O2S — CID 23858589

IUPACN-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C24H20FN3O2S/c1-2-21(22(29)26-20-15-9-7-13-18(20)25)31-24-27-19-14-8-6-12-17(19)23(30)28(24)16-10-4-3-5-11-16/h3-15,21H,2H2,1H3,(H,26,29)
InChIKeyZNBUSJZOKNRUPZ-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.03
Rot. Bonds6

About N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide

N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide (PubChem CID 23858589) has the molecular formula C24H20FN3O2S and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
PubChem CID23858589
Molecular FormulaC24H20FN3O2S
Molecular Weight433.51 g/mol
Exact Mass433.13
IUPAC NameN-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
SMILESCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C24H20FN3O2S/c1-2-21(22(29)26-20-15-9-7-13-18(20)25)31-24-27-19-14-8-6-12-17(19)23(30)28(24)16-10-4-3-5-11-16/h3-15,21H,2H2,1H3,(H,26,29)
InChIKeyZNBUSJZOKNRUPZ-UHFFFAOYSA-N
XLogP5.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23886561
N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
CID 23801475
N-(2-fluorophenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]butanamide
CID 3502941
ethyl 4-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanoylamino]benzoate
CID 23772266
N-naphthalen-1-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23970506
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide
CID 23772263
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)butanamide
CID 23772262
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide
CID 23998108
(2R)-N-(2-fluorophenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427759
2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 23914651
N-(2,4-difluorophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 43014223
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)butanamide
CID 42739159

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide (CID 23858589) is N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide is CCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide?
The InChIKey is ZNBUSJZOKNRUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2S/c1-2-21(22(29)26-20-15-9-7-13-18(20)25)31-24-27-19-14-8-6-12-17(19)23(30)28(24)16-10-4-3-5-11-16/h3-15,21H,2H2,1H3,(H,26,29).
What are the key properties of N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide?
N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide has a molecular weight of 433.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 23858589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).