[5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone

C19H20N2O5S — CID 138607585

IUPAC[5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3occc3c1)C2
InChIInChI=1S/C19H20N2O5S/c22-19(14-3-5-25-12-14)20-8-15-10-21(11-16(15)9-20)27(23,24)17-1-2-18-13(7-17)4-6-26-18/h1-2,4,6-7,14H,3,5,8-12H2/t14-/m1/s1
InChIKeyGGXZIRVEACXIJP-CQSZACIVSA-N
MW388.45 g/mol
LogP1.61
Rot. Bonds3

About [5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone

[5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 138607585) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is [5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID138607585
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name[5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3occc3c1)C2
InChIInChI=1S/C19H20N2O5S/c22-19(14-3-5-25-12-14)20-8-15-10-21(11-16(15)9-20)27(23,24)17-1-2-18-13(7-17)4-6-26-18/h1-2,4,6-7,14H,3,5,8-12H2/t14-/m1/s1
InChIKeyGGXZIRVEACXIJP-CQSZACIVSA-N
XLogP1.61
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 146530143
5-(1-benzofuran-5-ylsulfonyl)-2,3,4,6-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-2-carboxylic acid
CID 146421105
[5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 146530952
[5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[1-(methoxymethyl)cyclopropyl]methanone
CID 138607575
N-[[1-(1-benzofuran-5-ylsulfonyl)piperidin-4-yl]methyl]-N-ethylbenzamide
CID 71737633
1-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-2-(oxan-4-yl)ethanone
CID 146530488
N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 99928671
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 17430356
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31190301
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 141096620
[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone;[1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)azetidin-3-yl]-(4-phenylpiperazin-1-yl)methanone;1-methyl-5-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]sulfonyl-3H-indol-2-one
CID 162151836
5-[1-(1-benzofuran-5-ylsulfonyl)azetidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 166314382

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone (CID 138607585) is [5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone is O=C([C@@H]1CCOC1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3occc3c1)C2.
What is the InChIKey of [5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is GGXZIRVEACXIJP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-19(14-3-5-25-12-14)20-8-15-10-21(11-16(15)9-20)27(23,24)17-1-2-18-13(7-17)4-6-26-18/h1-2,4,6-7,14H,3,5,8-12H2/t14-/m1/s1.
What are the key properties of [5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone?
[5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 388.45 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-5-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 138607585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).