(2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

C23H24ClN5O4S — CID 155529373

IUPAC(2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24ClN5O4S/c24-17-4-2-16(3-5-17)22-20(23(31)27-10-1-12-28-13-11-26-15-28)14-21(30)29(22)18-6-8-19(9-7-18)34(25,32)33/h2-9,11,13,15,20,22H,1,10,12,14H2,(H,27,31)(H2,25,32,33)/t20-,22+/m0/s1
InChIKeyICBZOYHXUKPRCT-RBBKRZOGSA-N
MW502.00 g/mol
LogP2.48
Rot. Bonds8

About (2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

(2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 155529373) has the molecular formula C23H24ClN5O4S and a molecular weight of 502.00 g/mol. Its IUPAC name is (2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID155529373
Molecular FormulaC23H24ClN5O4S
Molecular Weight502.00 g/mol
Exact Mass501.12
IUPAC Name(2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24ClN5O4S/c24-17-4-2-16(3-5-17)22-20(23(31)27-10-1-12-28-13-11-26-15-28)14-21(30)29(22)18-6-8-19(9-7-18)34(25,32)33/h2-9,11,13,15,20,22H,1,10,12,14H2,(H,27,31)(H2,25,32,33)/t20-,22+/m0/s1
InChIKeyICBZOYHXUKPRCT-RBBKRZOGSA-N
XLogP2.48
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.00
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 155529373) is (2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is NS(=O)(=O)c1ccc(N2C(=O)C[C@H](C(=O)NCCCn3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ICBZOYHXUKPRCT-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H24ClN5O4S/c24-17-4-2-16(3-5-17)22-20(23(31)27-10-1-12-28-13-11-26-15-28)14-21(30)29(22)18-6-8-19(9-7-18)34(25,32)33/h2-9,11,13,15,20,22H,1,10,12,14H2,(H,27,31)(H2,25,32,33)/t20-,22+/m0/s1.
What are the key properties of (2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
(2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 502.00 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155529373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).