N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide

C17H11IN2OS — CID 155510513

IUPACN-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cc2ccc(I)cc2s1
InChIInChI=1S/C17H11IN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)
InChIKeyBAPOBBMTYXSRRJ-UHFFFAOYSA-N
MW418.26 g/mol
LogP5.24
Rot. Bonds2

About N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide

N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide (PubChem CID 155510513) has the molecular formula C17H11IN2OS and a molecular weight of 418.26 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide
PubChem CID155510513
Molecular FormulaC17H11IN2OS
Molecular Weight418.26 g/mol
Exact Mass417.96
IUPAC NameN-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cc2ccc(I)cc2s1
InChIInChI=1S/C17H11IN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)
InChIKeyBAPOBBMTYXSRRJ-UHFFFAOYSA-N
XLogP5.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.26
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide (CID 155510513) is N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide is O=C(Nc1cccc2[nH]ccc12)c1cc2ccc(I)cc2s1.
What is the InChIKey of N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide?
The InChIKey is BAPOBBMTYXSRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11IN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21).
What are the key properties of N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide?
N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide has a molecular weight of 418.26 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 155510513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).