N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide

C22H21N5O3S — CID 126471734

IUPACN-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cnc2cnc(-c3cccc(NS(C)(=O)=O)c3)cn12
InChIInChI=1S/C22H21N5O3S/c1-15-6-3-4-7-16(15)11-22(28)25-21-13-24-20-12-23-19(14-27(20)21)17-8-5-9-18(10-17)26-31(2,29)30/h3-10,12-14,26H,11H2,1-2H3,(H,25,28)
InChIKeyIQPQGXXLZGESGH-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.26
Rot. Bonds6

About N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide

N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide (PubChem CID 126471734) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide
PubChem CID126471734
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cnc2cnc(-c3cccc(NS(C)(=O)=O)c3)cn12
InChIInChI=1S/C22H21N5O3S/c1-15-6-3-4-7-16(15)11-22(28)25-21-13-24-20-12-23-19(14-27(20)21)17-8-5-9-18(10-17)26-31(2,29)30/h3-10,12-14,26H,11H2,1-2H3,(H,25,28)
InChIKeyIQPQGXXLZGESGH-UHFFFAOYSA-N
XLogP3.26
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide (CID 126471734) is N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1cnc2cnc(-c3cccc(NS(C)(=O)=O)c3)cn12.
What is the InChIKey of N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is IQPQGXXLZGESGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-15-6-3-4-7-16(15)11-22(28)25-21-13-24-20-12-23-19(14-27(20)21)17-8-5-9-18(10-17)26-31(2,29)30/h3-10,12-14,26H,11H2,1-2H3,(H,25,28).
What are the key properties of N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide?
N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 435.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-a]pyrazin-3-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 126471734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).