2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide

C26H23N3O5S — CID 50835924

IUPAC2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2Sc2nccnc2Oc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H23N3O5S/c1-31-20-15-17(16-21(32-2)23(20)33-3)29-24(30)19-11-7-8-12-22(19)35-26-25(27-13-14-28-26)34-18-9-5-4-6-10-18/h4-16H,1-3H3,(H,29,30)
InChIKeyPVSKFXWVUPXRFJ-UHFFFAOYSA-N
MW489.55 g/mol
LogP5.70
Rot. Bonds9

About 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide

2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 50835924) has the molecular formula C26H23N3O5S and a molecular weight of 489.55 g/mol. Its IUPAC name is 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID50835924
Molecular FormulaC26H23N3O5S
Molecular Weight489.55 g/mol
Exact Mass489.14
IUPAC Name2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2Sc2nccnc2Oc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H23N3O5S/c1-31-20-15-17(16-21(32-2)23(20)33-3)29-24(30)19-11-7-8-12-22(19)35-26-25(27-13-14-28-26)34-18-9-5-4-6-10-18/h4-16H,1-3H3,(H,29,30)
InChIKeyPVSKFXWVUPXRFJ-UHFFFAOYSA-N
XLogP5.70
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.55
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide (CID 50835924) is 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccccc2Sc2nccnc2Oc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is PVSKFXWVUPXRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5S/c1-31-20-15-17(16-21(32-2)23(20)33-3)29-24(30)19-11-7-8-12-22(19)35-26-25(27-13-14-28-26)34-18-9-5-4-6-10-18/h4-16H,1-3H3,(H,29,30).
What are the key properties of 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide?
2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 489.55 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypyrazin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 50835924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).