4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide

C23H24N4O4S — CID 157274555

IUPAC4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC4(C)COC4)cc3)n2)cc1
InChIInChI=1S/C23H24N4O4S/c1-15-3-7-17(8-4-15)19-12-25-22(24)21(26-19)20(28)11-16-5-9-18(10-6-16)32(29,30)27-23(2)13-31-14-23/h3-10,12,27H,11,13-14H2,1-2H3,(H2,24,25)
InChIKeyVDIRLYPJALTXCK-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.53
Rot. Bonds7

About 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide

4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide (PubChem CID 157274555) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide
PubChem CID157274555
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide
SMILESCc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC4(C)COC4)cc3)n2)cc1
InChIInChI=1S/C23H24N4O4S/c1-15-3-7-17(8-4-15)19-12-25-22(24)21(26-19)20(28)11-16-5-9-18(10-6-16)32(29,30)27-23(2)13-31-14-23/h3-10,12,27H,11,13-14H2,1-2H3,(H2,24,25)
InChIKeyVDIRLYPJALTXCK-UHFFFAOYSA-N
XLogP2.53
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide?
The IUPAC name of 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide (CID 157274555) is 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide is Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(=O)(=O)NC4(C)COC4)cc3)n2)cc1.
What is the InChIKey of 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide?
The InChIKey is VDIRLYPJALTXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-15-3-7-17(8-4-15)19-12-25-22(24)21(26-19)20(28)11-16-5-9-18(10-6-16)32(29,30)27-23(2)13-31-14-23/h3-10,12,27H,11,13-14H2,1-2H3,(H2,24,25).
What are the key properties of 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide?
4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-oxoethyl]-N-(3-methyloxetan-3-yl)benzenesulfonamide is sourced from PubChem (CID 157274555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).