N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide

C18H16FN3O2S — CID 135547325

IUPACN-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide
SMILESCC(SCC(=O)Nc1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16FN3O2S/c1-11(17-21-15-5-3-2-4-14(15)18(24)22-17)25-10-16(23)20-13-8-6-12(19)7-9-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyLUJUKXFTXVQDKA-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.50
Rot. Bonds5

About N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide

N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide (PubChem CID 135547325) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide
PubChem CID135547325
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide
SMILESCC(SCC(=O)Nc1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16FN3O2S/c1-11(17-21-15-5-3-2-4-14(15)18(24)22-17)25-10-16(23)20-13-8-6-12(19)7-9-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyLUJUKXFTXVQDKA-UHFFFAOYSA-N
XLogP3.50
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide (CID 135547325) is N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide is CC(SCC(=O)Nc1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide?
The InChIKey is LUJUKXFTXVQDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-11(17-21-15-5-3-2-4-14(15)18(24)22-17)25-10-16(23)20-13-8-6-12(19)7-9-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide?
N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]acetamide is sourced from PubChem (CID 135547325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).