3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide

C19H18N4O6S — CID 167590231

IUPAC3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide
SMILESC=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4c(C)noc4C)cc3C2=O)C(=O)N1
InChIInChI=1S/C19H18N4O6S/c1-9-4-7-15(17(24)20-9)23-18(25)13-6-5-12(8-14(13)19(23)26)22-30(27,28)16-10(2)21-29-11(16)3/h5-6,8,15,22H,1,4,7H2,2-3H3,(H,20,24)
InChIKeyNOJCOHUIBDBEEU-UHFFFAOYSA-N
MW430.44 g/mol
LogP1.48
Rot. Bonds4

About 3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide (PubChem CID 167590231) has the molecular formula C19H18N4O6S and a molecular weight of 430.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide
PubChem CID167590231
Molecular FormulaC19H18N4O6S
Molecular Weight430.44 g/mol
Exact Mass430.09
IUPAC Name3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide
SMILESC=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4c(C)noc4C)cc3C2=O)C(=O)N1
InChIInChI=1S/C19H18N4O6S/c1-9-4-7-15(17(24)20-9)23-18(25)13-6-5-12(8-14(13)19(23)26)22-30(27,28)16-10(2)21-29-11(16)3/h5-6,8,15,22H,1,4,7H2,2-3H3,(H,20,24)
InChIKeyNOJCOHUIBDBEEU-UHFFFAOYSA-N
XLogP1.48
TPSA138.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
CID 167615591
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
5-hydroxy-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 142596962
5-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 118527125
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-methyl-2-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 166985426
3-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]benzenesulfonamide
CID 164938543
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-phenylbenzenesulfonamide
CID 167591123
5-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methoxybenzenesulfonamide
CID 167175297
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(2-oxopropyl)benzenesulfonamide
CID 167557281
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-bromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-ethylbenzenesulfonamide
CID 169222741

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide (CID 167590231) is 3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide is C=C1CCC(N2C(=O)c3ccc(NS(=O)(=O)c4c(C)noc4C)cc3C2=O)C(=O)N1.
What is the InChIKey of 3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide?
The InChIKey is NOJCOHUIBDBEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6S/c1-9-4-7-15(17(24)20-9)23-18(25)13-6-5-12(8-14(13)19(23)26)22-30(27,28)16-10(2)21-29-11(16)3/h5-6,8,15,22H,1,4,7H2,2-3H3,(H,20,24).
What are the key properties of 3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide has a molecular weight of 430.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 167590231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).