5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide

C14H8ClIN2O3S — CID 15896283

IUPAC5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide
SMILESNC(=O)N1C(=O)C(C(=O)c2ccc(I)s2)c2cc(Cl)ccc21
InChIInChI=1S/C14H8ClIN2O3S/c15-6-1-2-8-7(5-6)11(13(20)18(8)14(17)21)12(19)9-3-4-10(16)22-9/h1-5,11H,(H2,17,21)
InChIKeyAOWGSBXNLZSUGC-UHFFFAOYSA-N
MW446.65 g/mol
LogP3.40
Rot. Bonds2

About 5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide

5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide (PubChem CID 15896283) has the molecular formula C14H8ClIN2O3S and a molecular weight of 446.65 g/mol. Its IUPAC name is 5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide
PubChem CID15896283
Molecular FormulaC14H8ClIN2O3S
Molecular Weight446.65 g/mol
Exact Mass445.90
IUPAC Name5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide
SMILESNC(=O)N1C(=O)C(C(=O)c2ccc(I)s2)c2cc(Cl)ccc21
InChIInChI=1S/C14H8ClIN2O3S/c15-6-1-2-8-7(5-6)11(13(20)18(8)14(17)21)12(19)9-3-4-10(16)22-9/h1-5,11H,(H2,17,21)
InChIKeyAOWGSBXNLZSUGC-UHFFFAOYSA-N
XLogP3.40
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.65
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide?
The IUPAC name of 5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide (CID 15896283) is 5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide.
What is the SMILES notation for 5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide?
The canonical SMILES for 5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide is NC(=O)N1C(=O)C(C(=O)c2ccc(I)s2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide?
The InChIKey is AOWGSBXNLZSUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClIN2O3S/c15-6-1-2-8-7(5-6)11(13(20)18(8)14(17)21)12(19)9-3-4-10(16)22-9/h1-5,11H,(H2,17,21).
What are the key properties of 5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide?
5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide has a molecular weight of 446.65 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide is sourced from PubChem (CID 15896283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).