3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide

C24H28N4O4S — CID 11754394

IUPAC3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(S(=O)(=O)Nc2ncc(C)nc2OC)c1-c1ccc(CC(C)C)cc1
InChIInChI=1S/C24H28N4O4S/c1-15(2)13-17-9-11-18(12-10-17)21-19(23(29)25-4)7-6-8-20(21)33(30,31)28-22-24(32-5)27-16(3)14-26-22/h6-12,14-15H,13H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyLUGPNDHPEZLAMX-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.82
Rot. Bonds8

About 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide

3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide (PubChem CID 11754394) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide
PubChem CID11754394
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(S(=O)(=O)Nc2ncc(C)nc2OC)c1-c1ccc(CC(C)C)cc1
InChIInChI=1S/C24H28N4O4S/c1-15(2)13-17-9-11-18(12-10-17)21-19(23(29)25-4)7-6-8-20(21)33(30,31)28-22-24(32-5)27-16(3)14-26-22/h6-12,14-15H,13H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyLUGPNDHPEZLAMX-UHFFFAOYSA-N
XLogP3.82
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide?
The IUPAC name of 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide (CID 11754394) is 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide.
What is the SMILES notation for 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide?
The canonical SMILES for 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide is CNC(=O)c1cccc(S(=O)(=O)Nc2ncc(C)nc2OC)c1-c1ccc(CC(C)C)cc1.
What is the InChIKey of 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide?
The InChIKey is LUGPNDHPEZLAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-15(2)13-17-9-11-18(12-10-17)21-19(23(29)25-4)7-6-8-20(21)33(30,31)28-22-24(32-5)27-16(3)14-26-22/h6-12,14-15H,13H2,1-5H3,(H,25,29)(H,26,28).
What are the key properties of 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide?
3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide has a molecular weight of 468.58 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide is sourced from PubChem (CID 11754394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).