2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide

C18H19N5O5S2 — CID 90571252

IUPAC2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCN2C(=O)CCCC2=O)n(-c2nc(-c3ccco3)cs2)n1
InChIInChI=1S/C18H19N5O5S2/c1-12-10-15(21-30(26,27)9-7-22-16(24)5-2-6-17(22)25)23(20-12)18-19-13(11-29-18)14-4-3-8-28-14/h3-4,8,10-11,21H,2,5-7,9H2,1H3
InChIKeyDBNOMWQBNCBHPZ-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.18
Rot. Bonds7

About 2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide

2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide (PubChem CID 90571252) has the molecular formula C18H19N5O5S2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide
PubChem CID90571252
Molecular FormulaC18H19N5O5S2
Molecular Weight449.51 g/mol
Exact Mass449.08
IUPAC Name2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCN2C(=O)CCCC2=O)n(-c2nc(-c3ccco3)cs2)n1
InChIInChI=1S/C18H19N5O5S2/c1-12-10-15(21-30(26,27)9-7-22-16(24)5-2-6-17(22)25)23(20-12)18-19-13(11-29-18)14-4-3-8-28-14/h3-4,8,10-11,21H,2,5-7,9H2,1H3
InChIKeyDBNOMWQBNCBHPZ-UHFFFAOYSA-N
XLogP2.18
TPSA127.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide?
The IUPAC name of 2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide (CID 90571252) is 2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide is Cc1cc(NS(=O)(=O)CCN2C(=O)CCCC2=O)n(-c2nc(-c3ccco3)cs2)n1.
What is the InChIKey of 2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide?
The InChIKey is DBNOMWQBNCBHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5S2/c1-12-10-15(21-30(26,27)9-7-22-16(24)5-2-6-17(22)25)23(20-12)18-19-13(11-29-18)14-4-3-8-28-14/h3-4,8,10-11,21H,2,5-7,9H2,1H3.
What are the key properties of 2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide?
2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide has a molecular weight of 449.51 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-1-yl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]ethanesulfonamide is sourced from PubChem (CID 90571252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).