(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C24H23N3O7S — CID 35558989

IUPAC(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C24H23N3O7S/c28-23-11-16(15-27(23)18-6-7-21-22(13-18)34-10-9-33-21)24(29)26-17-3-1-5-20(12-17)35(30,31)25-14-19-4-2-8-32-19/h1-8,12-13,16,25H,9-11,14-15H2,(H,26,29)/t16-/m0/s1
InChIKeyXJKPPCFMSBBCHW-INIZCTEOSA-N
MW497.53 g/mol
LogP2.52
Rot. Bonds7

About (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 35558989) has the molecular formula C24H23N3O7S and a molecular weight of 497.53 g/mol. Its IUPAC name is (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID35558989
Molecular FormulaC24H23N3O7S
Molecular Weight497.53 g/mol
Exact Mass497.13
IUPAC Name(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C24H23N3O7S/c28-23-11-16(15-27(23)18-6-7-21-22(13-18)34-10-9-33-21)24(29)26-17-3-1-5-20(12-17)35(30,31)25-14-19-4-2-8-32-19/h1-8,12-13,16,25H,9-11,14-15H2,(H,26,29)/t16-/m0/s1
InChIKeyXJKPPCFMSBBCHW-INIZCTEOSA-N
XLogP2.52
TPSA127.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42655484
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2458926
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42999603
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26213308
N-[3-(diethylcarbamoyl)phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 42906317
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 2526301
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46540196
N-(2-aminophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119422136
(3R)-N-(4-carbamoylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 7926395
1-(1,3-benzodioxol-5-yl)-N-[3-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43060347
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42909279
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 41236330

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 35558989) is (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XJKPPCFMSBBCHW-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23N3O7S/c28-23-11-16(15-27(23)18-6-7-21-22(13-18)34-10-9-33-21)24(29)26-17-3-1-5-20(12-17)35(30,31)25-14-19-4-2-8-32-19/h1-8,12-13,16,25H,9-11,14-15H2,(H,26,29)/t16-/m0/s1.
What are the key properties of (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 497.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 35558989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).