5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

C20H18F3N5O4S — CID 23076159

IUPAC5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NCC(F)(F)F)nc2OCc2cccnc2)cc1
InChIInChI=1S/C20H18F3N5O4S/c1-13-4-6-15(7-5-13)33(30,31)28-17-19(32-11-14-3-2-8-24-9-14)27-16(10-25-17)18(29)26-12-20(21,22)23/h2-10H,11-12H2,1H3,(H,25,28)(H,26,29)
InChIKeyPCCRSXPVEIKALW-UHFFFAOYSA-N
MW481.46 g/mol
LogP2.85
Rot. Bonds8

About 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (PubChem CID 23076159) has the molecular formula C20H18F3N5O4S and a molecular weight of 481.46 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
PubChem CID23076159
Molecular FormulaC20H18F3N5O4S
Molecular Weight481.46 g/mol
Exact Mass481.10
IUPAC Name5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NCC(F)(F)F)nc2OCc2cccnc2)cc1
InChIInChI=1S/C20H18F3N5O4S/c1-13-4-6-15(7-5-13)33(30,31)28-17-19(32-11-14-3-2-8-24-9-14)27-16(10-25-17)18(29)26-12-20(21,22)23/h2-10H,11-12H2,1H3,(H,25,28)(H,26,29)
InChIKeyPCCRSXPVEIKALW-UHFFFAOYSA-N
XLogP2.85
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (CID 23076159) is 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)NCC(F)(F)F)nc2OCc2cccnc2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
The InChIKey is PCCRSXPVEIKALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O4S/c1-13-4-6-15(7-5-13)33(30,31)28-17-19(32-11-14-3-2-8-24-9-14)27-16(10-25-17)18(29)26-12-20(21,22)23/h2-10H,11-12H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?
5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide has a molecular weight of 481.46 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 23076159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).