3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide

C21H20N4O4S — CID 52937661

IUPAC3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)[C@@H]3CCOC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N4O4S/c22-20-19(21(26)24-15-4-2-1-3-5-15)25-18(12-23-20)14-6-8-16(9-7-14)30(27,28)17-10-11-29-13-17/h1-9,12,17H,10-11,13H2,(H2,22,23)(H,24,26)/t17-/m1/s1
InChIKeyWDPPNWOWAQHCOY-QGZVFWFLSA-N
MW424.48 g/mol
LogP2.54
Rot. Bonds5

About 3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 52937661) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID52937661
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)[C@@H]3CCOC3)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H20N4O4S/c22-20-19(21(26)24-15-4-2-1-3-5-15)25-18(12-23-20)14-6-8-16(9-7-14)30(27,28)17-10-11-29-13-17/h1-9,12,17H,10-11,13H2,(H2,22,23)(H,24,26)/t17-/m1/s1
InChIKeyWDPPNWOWAQHCOY-QGZVFWFLSA-N
XLogP2.54
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide (CID 52937661) is 3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide is Nc1ncc(-c2ccc(S(=O)(=O)[C@@H]3CCOC3)cc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is WDPPNWOWAQHCOY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N4O4S/c22-20-19(21(26)24-15-4-2-1-3-5-15)25-18(12-23-20)14-6-8-16(9-7-14)30(27,28)17-10-11-29-13-17/h1-9,12,17H,10-11,13H2,(H2,22,23)(H,24,26)/t17-/m1/s1.
What are the key properties of 3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).