N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide

C22H23N5O4S — CID 3505884

IUPACN-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnccn3)ccc2N2CCCC2)cc1
InChIInChI=1S/C22H23N5O4S/c1-31-18-7-4-16(5-8-18)26-32(29,30)21-14-17(6-9-20(21)27-12-2-3-13-27)25-22(28)19-15-23-10-11-24-19/h4-11,14-15,26H,2-3,12-13H2,1H3,(H,25,28)
InChIKeyVKOOLMPIRACZLV-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.14
Rot. Bonds7

About N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide (PubChem CID 3505884) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide
PubChem CID3505884
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnccn3)ccc2N2CCCC2)cc1
InChIInChI=1S/C22H23N5O4S/c1-31-18-7-4-16(5-8-18)26-32(29,30)21-14-17(6-9-20(21)27-12-2-3-13-27)25-22(28)19-15-23-10-11-24-19/h4-11,14-15,26H,2-3,12-13H2,1H3,(H,25,28)
InChIKeyVKOOLMPIRACZLV-UHFFFAOYSA-N
XLogP3.14
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide (CID 3505884) is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnccn3)ccc2N2CCCC2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide?
The InChIKey is VKOOLMPIRACZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-31-18-7-4-16(5-8-18)26-32(29,30)21-14-17(6-9-20(21)27-12-2-3-13-27)25-22(28)19-15-23-10-11-24-19/h4-11,14-15,26H,2-3,12-13H2,1H3,(H,25,28).
What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide?
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 3.14, 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-pyrrolidin-1-ylphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3505884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).