N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

C25H20FN3O2S — CID 54765437

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2c(F)cccc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H20FN3O2S/c26-21-11-5-10-20-23(21)28-25(29(24(20)31)19-8-2-1-3-9-19)32-15-22(30)27-18-13-12-16-6-4-7-17(16)14-18/h1-3,5,8-14H,4,6-7,15H2,(H,27,30)
InChIKeyVVQWQYIAYQFWBB-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.74
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide (PubChem CID 54765437) has the molecular formula C25H20FN3O2S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
PubChem CID54765437
Molecular FormulaC25H20FN3O2S
Molecular Weight445.52 g/mol
Exact Mass445.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2c(F)cccc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H20FN3O2S/c26-21-11-5-10-20-23(21)28-25(29(24(20)31)19-8-2-1-3-9-19)32-15-22(30)27-18-13-12-16-6-4-7-17(16)14-18/h1-3,5,8-14H,4,6-7,15H2,(H,27,30)
InChIKeyVVQWQYIAYQFWBB-UHFFFAOYSA-N
XLogP4.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide with MolForge

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16531900
3-[3-(3,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 53308422
N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16531360
2-[3-(3-bromo-4-fluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 53308435
N-(2,3-dihydro-1H-inden-5-yl)-5-[4-oxo-3-(3,4,5-trifluorophenyl)quinazolin-2-yl]sulfanylpentanamide
CID 53308410
N-naphthalen-2-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4666942
N-(3-fluorophenyl)-2-[(4-oxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 16815555
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4791093
2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-2-ylacetamide
CID 3999757
N-[4-(diethylamino)phenyl]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 3882884
N-(2,4-difluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4673947

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide (CID 54765437) is N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is O=C(CSc1nc2c(F)cccc2c(=O)n1-c1ccccc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is VVQWQYIAYQFWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2S/c26-21-11-5-10-20-23(21)28-25(29(24(20)31)19-8-2-1-3-9-19)32-15-22(30)27-18-13-12-16-6-4-7-17(16)14-18/h1-3,5,8-14H,4,6-7,15H2,(H,27,30).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 445.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 54765437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).