N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide

C16H12FN3OS — CID 2362322

IUPACN-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1cccc(F)c1
InChIInChI=1S/C16H12FN3OS/c17-11-4-3-5-12(8-11)20-15(21)9-22-16-13-6-1-2-7-14(13)18-10-19-16/h1-8,10H,9H2,(H,20,21)
InChIKeyBHQGKYLWNJZXMY-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.50
Rot. Bonds4

About N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide

N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2362322) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2362322
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC NameN-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)Nc1cccc(F)c1
InChIInChI=1S/C16H12FN3OS/c17-11-4-3-5-12(8-11)20-15(21)9-22-16-13-6-1-2-7-14(13)18-10-19-16/h1-8,10H,9H2,(H,20,21)
InChIKeyBHQGKYLWNJZXMY-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2652585
N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 3518128
N-[4-(cyanomethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 8939437
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
CID 2595063
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 4187636
N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide
CID 154455652
2-[3-[(4-chlorophenyl)methyl]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 42248781
N-(2-benzylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9323347
N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
CID 9325504

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide (CID 2362322) is N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccccc12)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is BHQGKYLWNJZXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-11-4-3-5-12(8-11)20-15(21)9-22-16-13-6-1-2-7-14(13)18-10-19-16/h1-8,10H,9H2,(H,20,21).
What are the key properties of N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 313.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2362322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).