N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C19H21N3O4S — CID 155519746

IUPACN-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc(C)c1S(N)(=O)=O
InChIInChI=1S/C19H21N3O4S/c1-12-8-15(9-13(2)18(12)27(20,25)26)21-19(24)14-10-17(23)22(11-14)16-6-4-3-5-7-16/h3-9,14H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26)
InChIKeyXKSNHXULXLMTSO-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.94
Rot. Bonds4

About N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 155519746) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID155519746
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc(C)c1S(N)(=O)=O
InChIInChI=1S/C19H21N3O4S/c1-12-8-15(9-13(2)18(12)27(20,25)26)21-19(24)14-10-17(23)22(11-14)16-6-4-3-5-7-16/h3-9,14H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26)
InChIKeyXKSNHXULXLMTSO-UHFFFAOYSA-N
XLogP1.94
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 155519746) is N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc(C)c1S(N)(=O)=O.
What is the InChIKey of N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is XKSNHXULXLMTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-8-15(9-13(2)18(12)27(20,25)26)21-19(24)14-10-17(23)22(11-14)16-6-4-3-5-7-16/h3-9,14H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26).
What are the key properties of N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-sulfamoylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 155519746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).