N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide

C25H16N2O5S — CID 1107365

IUPACN-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1)c1cccs1
InChIInChI=1S/C25H16N2O5S/c28-17-7-5-16(6-8-17)27-24(30)20-12-11-19(14-21(20)25(27)31)32-18-9-3-15(4-10-18)26-23(29)22-2-1-13-33-22/h1-14,28H,(H,26,29)
InChIKeyZRMKNWYOYJXOFR-UHFFFAOYSA-N
MW456.48 g/mol
LogP5.30
Rot. Bonds5

About N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide

N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide (PubChem CID 1107365) has the molecular formula C25H16N2O5S and a molecular weight of 456.48 g/mol. Its IUPAC name is N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide
PubChem CID1107365
Molecular FormulaC25H16N2O5S
Molecular Weight456.48 g/mol
Exact Mass456.08
IUPAC NameN-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1)c1cccs1
InChIInChI=1S/C25H16N2O5S/c28-17-7-5-16(6-8-17)27-24(30)20-12-11-19(14-21(20)25(27)31)32-18-9-3-15(4-10-18)26-23(29)22-2-1-13-33-22/h1-14,28H,(H,26,29)
InChIKeyZRMKNWYOYJXOFR-UHFFFAOYSA-N
XLogP5.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.48
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide (CID 1107365) is N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1)c1cccs1.
What is the InChIKey of N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide?
The InChIKey is ZRMKNWYOYJXOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O5S/c28-17-7-5-16(6-8-17)27-24(30)20-12-11-19(14-21(20)25(27)31)32-18-9-3-15(4-10-18)26-23(29)22-2-1-13-33-22/h1-14,28H,(H,26,29).
What are the key properties of N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide?
N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-hydroxyphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1107365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).