(3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C18H19N3O6S — CID 39313837

IUPAC(3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C18H19N3O6S/c1-12(22)20-28(25,26)16-6-4-14(5-7-16)19-18(24)13-9-17(23)21(10-13)11-15-3-2-8-27-15/h2-8,13H,9-11H2,1H3,(H,19,24)(H,20,22)/t13-/m1/s1
InChIKeyRXXYJNPYNYYABX-CYBMUJFWSA-N
MW405.43 g/mol
LogP1.09
Rot. Bonds6

About (3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 39313837) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is (3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID39313837
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name(3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C18H19N3O6S/c1-12(22)20-28(25,26)16-6-4-14(5-7-16)19-18(24)13-9-17(23)21(10-13)11-15-3-2-8-27-15/h2-8,13H,9-11H2,1H3,(H,19,24)(H,20,22)/t13-/m1/s1
InChIKeyRXXYJNPYNYYABX-CYBMUJFWSA-N
XLogP1.09
TPSA125.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
N-[4-(tert-butylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55549537
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 35753646
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 39313837) is (3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1.
What is the InChIKey of (3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RXXYJNPYNYYABX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-12(22)20-28(25,26)16-6-4-14(5-7-16)19-18(24)13-9-17(23)21(10-13)11-15-3-2-8-27-15/h2-8,13H,9-11H2,1H3,(H,19,24)(H,20,22)/t13-/m1/s1.
What are the key properties of (3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 39313837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).