N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide

C19H12N2O3S — CID 671729

IUPACN-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cccs1
InChIInChI=1S/C19H12N2O3S/c22-17(16-7-4-10-25-16)20-12-8-9-14-15(11-12)19(24)21(18(14)23)13-5-2-1-3-6-13/h1-11H,(H,20,22)
InChIKeyODKFYEBYGOSHQC-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.80
Rot. Bonds3

About N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide

N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide (PubChem CID 671729) has the molecular formula C19H12N2O3S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide
PubChem CID671729
Molecular FormulaC19H12N2O3S
Molecular Weight348.38 g/mol
Exact Mass348.06
IUPAC NameN-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cccs1
InChIInChI=1S/C19H12N2O3S/c22-17(16-7-4-10-25-16)20-12-8-9-14-15(11-12)19(24)21(18(14)23)13-5-2-1-3-6-13/h1-11H,(H,20,22)
InChIKeyODKFYEBYGOSHQC-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide (CID 671729) is N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cccs1.
What is the InChIKey of N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide?
The InChIKey is ODKFYEBYGOSHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3S/c22-17(16-7-4-10-25-16)20-12-8-9-14-15(11-12)19(24)21(18(14)23)13-5-2-1-3-6-13/h1-11H,(H,20,22).
What are the key properties of N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide?
N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-2-phenylisoindol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 671729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).