N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide

C24H27N5O4S — CID 4179887

IUPACN-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnc(C)cn3)ccc2N2CCCCC2)cc1
InChIInChI=1S/C24H27N5O4S/c1-17-15-26-21(16-25-17)24(30)27-19-8-11-22(29-12-4-3-5-13-29)23(14-19)34(31,32)28-18-6-9-20(33-2)10-7-18/h6-11,14-16,28H,3-5,12-13H2,1-2H3,(H,27,30)
InChIKeyXICLFKYFNHARNJ-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.84
Rot. Bonds7

About N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 4179887) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide
PubChem CID4179887
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnc(C)cn3)ccc2N2CCCCC2)cc1
InChIInChI=1S/C24H27N5O4S/c1-17-15-26-21(16-25-17)24(30)27-19-8-11-22(29-12-4-3-5-13-29)23(14-19)34(31,32)28-18-6-9-20(33-2)10-7-18/h6-11,14-16,28H,3-5,12-13H2,1-2H3,(H,27,30)
InChIKeyXICLFKYFNHARNJ-UHFFFAOYSA-N
XLogP3.84
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide (CID 4179887) is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnc(C)cn3)ccc2N2CCCCC2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is XICLFKYFNHARNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-17-15-26-21(16-25-17)24(30)27-19-8-11-22(29-12-4-3-5-13-29)23(14-19)34(31,32)28-18-6-9-20(33-2)10-7-18/h6-11,14-16,28H,3-5,12-13H2,1-2H3,(H,27,30).
What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide?
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 4179887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).