2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C23H18F3N3O4S — CID 46667499

IUPAC2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C23H18F3N3O4S/c24-23(25,26)33-19-10-4-1-6-15(19)12-27-20(30)14-34-22-28-18-9-3-2-8-17(18)21(31)29(22)13-16-7-5-11-32-16/h1-11H,12-14H2,(H,27,30)
InChIKeyDTWIMJKOEMGUOQ-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.34
Rot. Bonds8

About 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 46667499) has the molecular formula C23H18F3N3O4S and a molecular weight of 489.48 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID46667499
Molecular FormulaC23H18F3N3O4S
Molecular Weight489.48 g/mol
Exact Mass489.10
IUPAC Name2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C23H18F3N3O4S/c24-23(25,26)33-19-10-4-1-6-15(19)12-27-20(30)14-34-22-28-18-9-3-2-8-17(18)21(31)29(22)13-16-7-5-11-32-16/h1-11H,12-14H2,(H,27,30)
InChIKeyDTWIMJKOEMGUOQ-UHFFFAOYSA-N
XLogP4.34
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2490048
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 2669103
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1071959
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-hydroxy-3,5-dimethylphenyl)methyl]acetamide
CID 4790791
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 1162834
N-benzyl-2-[3-[(2-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4200728
N-butan-2-yl-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5211162
N-(3,4-difluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2490289
N-(2-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2490304
methyl 3-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 7644654
N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16510998
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16511040

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 46667499) is 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is DTWIMJKOEMGUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O4S/c24-23(25,26)33-19-10-4-1-6-15(19)12-27-20(30)14-34-22-28-18-9-3-2-8-17(18)21(31)29(22)13-16-7-5-11-32-16/h1-11H,12-14H2,(H,27,30).
What are the key properties of 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 489.48 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 46667499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).