2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide

C25H24N4O4S — CID 59343485

IUPAC2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCOc1cc(Nc2cncc(-c3cccc(NC(=O)Cc4cccs4)c3)n2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O4S/c1-31-21-11-18(12-22(32-2)25(21)33-3)27-23-15-26-14-20(29-23)16-6-4-7-17(10-16)28-24(30)13-19-8-5-9-34-19/h4-12,14-15H,13H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyCWWKZNLRQFAFQI-UHFFFAOYSA-N
MW476.56 g/mol
LogP5.16
Rot. Bonds9

About 2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide

2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 59343485) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
PubChem CID59343485
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCOc1cc(Nc2cncc(-c3cccc(NC(=O)Cc4cccs4)c3)n2)cc(OC)c1OC
InChIInChI=1S/C25H24N4O4S/c1-31-21-11-18(12-22(32-2)25(21)33-3)27-23-15-26-14-20(29-23)16-6-4-7-17(10-16)28-24(30)13-19-8-5-9-34-19/h4-12,14-15H,13H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyCWWKZNLRQFAFQI-UHFFFAOYSA-N
XLogP5.16
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
CID 155070797
3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
CID 143250197
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
2,6-difluoro-N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]benzamide
CID 66912565
[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]methanol
CID 11710382
2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 30515129
N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 46376286
N-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]formamide
CID 87201830
N-[4-[[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]amino]phenyl]acetamide
CID 24879331
(3-fluorophenyl)-[[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]carbamoyl]azanium
CID 148535392

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of 2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide (CID 59343485) is 2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide is COc1cc(Nc2cncc(-c3cccc(NC(=O)Cc4cccs4)c3)n2)cc(OC)c1OC.
What is the InChIKey of 2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is CWWKZNLRQFAFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-31-21-11-18(12-22(32-2)25(21)33-3)27-23-15-26-14-20(29-23)16-6-4-7-17(10-16)28-24(30)13-19-8-5-9-34-19/h4-12,14-15H,13H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide?
2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 476.56 g/mol, XLogP of 5.16, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 59343485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).