1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

C15H21N3O4S — CID 6497355

IUPAC1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C15H21N3O4S/c1-15(2,3)18-9-10(8-13(18)19)14(20)17-11-4-6-12(7-5-11)23(16,21)22/h4-7,10H,8-9H2,1-3H3,(H,17,20)(H2,16,21,22)
InChIKeyDHKORGMFEUPYBE-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.92
Rot. Bonds3

About 1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 6497355) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID6497355
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O
InChIInChI=1S/C15H21N3O4S/c1-15(2,3)18-9-10(8-13(18)19)14(20)17-11-4-6-12(7-5-11)23(16,21)22/h4-7,10H,8-9H2,1-3H3,(H,17,20)(H2,16,21,22)
InChIKeyDHKORGMFEUPYBE-UHFFFAOYSA-N
XLogP0.92
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 6497355) is 1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1=O.
What is the InChIKey of 1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is DHKORGMFEUPYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-15(2,3)18-9-10(8-13(18)19)14(20)17-11-4-6-12(7-5-11)23(16,21)22/h4-7,10H,8-9H2,1-3H3,(H,17,20)(H2,16,21,22).
What are the key properties of 1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 6497355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).