N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide

C18H14FN3O4S — CID 166425662

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide
SMILESO=C1CCC(N2Cc3c(NC(=O)c4ccc(F)s4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C18H14FN3O4S/c19-14-6-5-13(27-14)17(25)20-11-3-1-2-9-10(11)8-22(18(9)26)12-4-7-15(23)21-16(12)24/h1-3,5-6,12H,4,7-8H2,(H,20,25)(H,21,23,24)
InChIKeyLNDOMTLQTFUJGN-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.90
Rot. Bonds3

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide (PubChem CID 166425662) has the molecular formula C18H14FN3O4S and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide
PubChem CID166425662
Molecular FormulaC18H14FN3O4S
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide
SMILESO=C1CCC(N2Cc3c(NC(=O)c4ccc(F)s4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C18H14FN3O4S/c19-14-6-5-13(27-14)17(25)20-11-3-1-2-9-10(11)8-22(18(9)26)12-4-7-15(23)21-16(12)24/h1-3,5-6,12H,4,7-8H2,(H,20,25)(H,21,23,24)
InChIKeyLNDOMTLQTFUJGN-UHFFFAOYSA-N
XLogP1.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-fluorobenzamide
CID 154810838
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2,4-difluorobenzamide
CID 154810843
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-2-enamide
CID 167989554
tert-butyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 130441784
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-11-oxoundecanamide
CID 126719053
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-hydroxyhexanamide
CID 155292313
(2S)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 90005762
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-octylbenzamide
CID 73293447
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-N-methylacetamide
CID 171491512

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide (CID 166425662) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide is O=C1CCC(N2Cc3c(NC(=O)c4ccc(F)s4)cccc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide?
The InChIKey is LNDOMTLQTFUJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4S/c19-14-6-5-13(27-14)17(25)20-11-3-1-2-9-10(11)8-22(18(9)26)12-4-7-15(23)21-16(12)24/h1-3,5-6,12H,4,7-8H2,(H,20,25)(H,21,23,24).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-fluorothiophene-2-carboxamide is sourced from PubChem (CID 166425662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).