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

C19H12N2O4S — CID 2193192

IUPACN-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1)c1cccs1
InChIInChI=1S/C19H12N2O4S/c22-17-14-7-6-13(10-15(14)18(23)21-17)25-12-4-1-3-11(9-12)20-19(24)16-5-2-8-26-16/h1-10H,(H,20,24)(H,21,22,23)
InChIKeyXEHDYWGXVJIVHH-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.68
Rot. Bonds4

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

N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide (PubChem CID 2193192) has the molecular formula C19H12N2O4S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide
PubChem CID2193192
Molecular FormulaC19H12N2O4S
Molecular Weight364.38 g/mol
Exact Mass364.05
IUPAC NameN-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1)c1cccs1
InChIInChI=1S/C19H12N2O4S/c22-17-14-7-6-13(10-15(14)18(23)21-17)25-12-4-1-3-11(9-12)20-19(24)16-5-2-8-26-16/h1-10H,(H,20,24)(H,21,22,23)
InChIKeyXEHDYWGXVJIVHH-UHFFFAOYSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide (CID 2193192) is N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide is O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1)c1cccs1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide?
The InChIKey is XEHDYWGXVJIVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4S/c22-17-14-7-6-13(10-15(14)18(23)21-17)25-12-4-1-3-11(9-12)20-19(24)16-5-2-8-26-16/h1-10H,(H,20,24)(H,21,22,23).
What are the key properties of N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide?
N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2193192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).