N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide

C26H19F2N3O2S — CID 18559900

IUPACN-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCc1ccc2c(c1)Cc1c(nc(-c3ccc(F)cc3)nc1SCC(=O)Nc1ccccc1F)O2
InChIInChI=1S/C26H19F2N3O2S/c1-15-6-11-22-17(12-15)13-19-25(33-22)30-24(16-7-9-18(27)10-8-16)31-26(19)34-14-23(32)29-21-5-3-2-4-20(21)28/h2-12H,13-14H2,1H3,(H,29,32)
InChIKeyRHIVIXFYMIXVOX-UHFFFAOYSA-N
MW475.52 g/mol
LogP6.16
Rot. Bonds5

About N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide

N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide (PubChem CID 18559900) has the molecular formula C26H19F2N3O2S and a molecular weight of 475.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide
PubChem CID18559900
Molecular FormulaC26H19F2N3O2S
Molecular Weight475.52 g/mol
Exact Mass475.12
IUPAC NameN-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide
SMILESCc1ccc2c(c1)Cc1c(nc(-c3ccc(F)cc3)nc1SCC(=O)Nc1ccccc1F)O2
InChIInChI=1S/C26H19F2N3O2S/c1-15-6-11-22-17(12-15)13-19-25(33-22)30-24(16-7-9-18(27)10-8-16)31-26(19)34-14-23(32)29-21-5-3-2-4-20(21)28/h2-12H,13-14H2,1H3,(H,29,32)
InChIKeyRHIVIXFYMIXVOX-UHFFFAOYSA-N
XLogP6.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide (CID 18559900) is N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide is Cc1ccc2c(c1)Cc1c(nc(-c3ccc(F)cc3)nc1SCC(=O)Nc1ccccc1F)O2.
What is the InChIKey of N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide?
The InChIKey is RHIVIXFYMIXVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O2S/c1-15-6-11-22-17(12-15)13-19-25(33-22)30-24(16-7-9-18(27)10-8-16)31-26(19)34-14-23(32)29-21-5-3-2-4-20(21)28/h2-12H,13-14H2,1H3,(H,29,32).
What are the key properties of N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide?
N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide has a molecular weight of 475.52 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-7-methyl-5H-chromeno[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 18559900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).