4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide

C18H23N3O5S — CID 91920395

IUPAC4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide
SMILESCOCCN1C(=O)c2cccn2CC1CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H23N3O5S/c1-25-11-10-21-14(13-20-9-3-4-17(20)18(21)22)12-19-27(23,24)16-7-5-15(26-2)6-8-16/h3-9,14,19H,10-13H2,1-2H3
InChIKeyXATSRGJXHZAMIZ-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.95
Rot. Bonds8

About 4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide

4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide (PubChem CID 91920395) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide
PubChem CID91920395
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide
SMILESCOCCN1C(=O)c2cccn2CC1CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H23N3O5S/c1-25-11-10-21-14(13-20-9-3-4-17(20)18(21)22)12-19-27(23,24)16-7-5-15(26-2)6-8-16/h3-9,14,19H,10-13H2,1-2H3
InChIKeyXATSRGJXHZAMIZ-UHFFFAOYSA-N
XLogP0.95
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide (CID 91920395) is 4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide is COCCN1C(=O)c2cccn2CC1CNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide?
The InChIKey is XATSRGJXHZAMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-25-11-10-21-14(13-20-9-3-4-17(20)18(21)22)12-19-27(23,24)16-7-5-15(26-2)6-8-16/h3-9,14,19H,10-13H2,1-2H3.
What are the key properties of 4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide?
4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 91920395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).