N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide

C16H11F2N3OS — CID 5142642

IUPACN-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncc2ccccc2n1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H11F2N3OS/c17-11-5-6-14(12(18)7-11)20-15(22)9-23-16-19-8-10-3-1-2-4-13(10)21-16/h1-8H,9H2,(H,20,22)
InChIKeyIFZYBNXMXKCZBN-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.64
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide

N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide (PubChem CID 5142642) has the molecular formula C16H11F2N3OS and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide
PubChem CID5142642
Molecular FormulaC16H11F2N3OS
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncc2ccccc2n1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H11F2N3OS/c17-11-5-6-14(12(18)7-11)20-15(22)9-23-16-19-8-10-3-1-2-4-13(10)21-16/h1-8H,9H2,(H,20,22)
InChIKeyIFZYBNXMXKCZBN-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 3948917
N-(2,4-difluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2667330
N-(4-chloro-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 743539
N-(2,4-difluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4673947
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
N-(4-chloro-2-fluorophenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6416583
N-(4-bromo-2-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2351076
N-(2,4-difluorophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 2595690
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 16832902
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4-difluorophenyl)acetamide
CID 46572910
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 53364696

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide (CID 5142642) is N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide is O=C(CSc1ncc2ccccc2n1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide?
The InChIKey is IFZYBNXMXKCZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS/c17-11-5-6-14(12(18)7-11)20-15(22)9-23-16-19-8-10-3-1-2-4-13(10)21-16/h1-8H,9H2,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide?
N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide has a molecular weight of 331.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-quinazolin-2-ylsulfanylacetamide is sourced from PubChem (CID 5142642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).