N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide

C22H23N5O4S — CID 11546962

IUPACN-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C22H23N5O4S/c1-16(28)24-19-4-2-3-17(13-19)21-14-23-15-22(26-21)25-18-5-7-20(8-6-18)32(29,30)27-9-11-31-12-10-27/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,26)
InChIKeyZVCMGYVZXOWATH-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.87
Rot. Bonds6

About N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide

N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 11546962) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide
PubChem CID11546962
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC NameN-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C22H23N5O4S/c1-16(28)24-19-4-2-3-17(13-19)21-14-23-15-22(26-21)25-18-5-7-20(8-6-18)32(29,30)27-9-11-31-12-10-27/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,26)
InChIKeyZVCMGYVZXOWATH-UHFFFAOYSA-N
XLogP2.87
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide (CID 11546962) is N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)c1.
What is the InChIKey of N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is ZVCMGYVZXOWATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-16(28)24-19-4-2-3-17(13-19)21-14-23-15-22(26-21)25-18-5-7-20(8-6-18)32(29,30)27-9-11-31-12-10-27/h2-8,13-15H,9-12H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 453.52 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-morpholin-4-ylsulfonylanilino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11546962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).