2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide

C24H28N4O4S — CID 52942168

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H28N4O4S/c1-18-22(24(29)26-11-12-27-13-15-32-16-14-27)17-23(19-5-3-2-4-6-19)28(18)20-7-9-21(10-8-20)33(25,30)31/h2-10,17H,11-16H2,1H3,(H,26,29)(H2,25,30,31)
InChIKeyABMSRNRLDZVJFV-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.16
Rot. Bonds7

About 2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide

2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide (PubChem CID 52942168) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
PubChem CID52942168
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H28N4O4S/c1-18-22(24(29)26-11-12-27-13-15-32-16-14-27)17-23(19-5-3-2-4-6-19)28(18)20-7-9-21(10-8-20)33(25,30)31/h2-10,17H,11-16H2,1H3,(H,26,29)(H2,25,30,31)
InChIKeyABMSRNRLDZVJFV-UHFFFAOYSA-N
XLogP2.16
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze 2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-(4-methylphenyl)-1-(3-morpholinopropyl)-5-phenyl-1H-pyrrole-3-carboxamide
CID 2742391
2-methyl-1-(3-morpholinopropyl)-N,5-diphenyl-1H-pyrrole-3-carboxamide
CID 2742727
(Z)-3-((3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl)methylene)-5-(indolin-1-ylsulfonyl)indolin-2-one
CID 11387226
N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 151104161
5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 151319427
N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155513070
4-[5-(4-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155519294
4-[5-(3-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155542855
4-[5-(4-Methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155550206
2-methyl-N-(2-methylphenyl)-1-(3-morpholinopropyl)-5-phenyl-1H-pyrrole-3-carboxamide
CID 2742554
N-[2-(2-methyl-1H-indol-1-yl)ethyl]-4-(morpholine-4-sulfonyl)benzamide
CID 3244006
2,5-dimethyl-N-(4-methylphenyl)sulfonyl-1-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
CID 4384332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide (CID 52942168) is 2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccccc2)n1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
The InChIKey is ABMSRNRLDZVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-18-22(24(29)26-11-12-27-13-15-32-16-14-27)17-23(19-5-3-2-4-6-19)28(18)20-7-9-21(10-8-20)33(25,30)31/h2-10,17H,11-16H2,1H3,(H,26,29)(H2,25,30,31).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide?
2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 52942168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).