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

C17H11BrN2OS — CID 146014943

IUPAC6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cc2ccc(Br)cc2s1
InChIInChI=1S/C17H11BrN2OS/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)
InChIKeyREBSMDZUSJUELV-UHFFFAOYSA-N
MW371.26 g/mol
LogP5.40
Rot. Bonds2

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

6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide (PubChem CID 146014943) has the molecular formula C17H11BrN2OS and a molecular weight of 371.26 g/mol. Its IUPAC name is 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
PubChem CID146014943
Molecular FormulaC17H11BrN2OS
Molecular Weight371.26 g/mol
Exact Mass369.98
IUPAC Name6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cc2ccc(Br)cc2s1
InChIInChI=1S/C17H11BrN2OS/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)
InChIKeyREBSMDZUSJUELV-UHFFFAOYSA-N
XLogP5.40
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.26
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(E)-(4-bromothiophen-2-yl)methylidene]-1H-indole-3-carbohydrazide
CID 9557417
N-[2-(1H-indol-3-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 2571989
(E)-1-(4-bromophenyl)-2-(4-bromophenyl)sulfanyl-3-(1H-indol-3-yl)prop-2-en-1-one
CID 24961108
N-(1H-indol-4-yl)-6-iodo-1-benzothiophene-2-carboxamide
CID 155510513
6-cyano-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
CID 155515711
6-chloro-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide
CID 155529213
4-bromo-N-(1H-indol-6-yl)benzamide
CID 155533437
N'-[(5-bromo-2-thienyl)methylene]-1H-indole-3-carbohydrazide
CID 6873014
3-(5-Bromo-thiophen-2-yl)-2-cyano-N-[2-(1H-indol-3-yl)-ethyl]-acrylamide
CID 1924870
N-[2-(3-{[(4-Bromophenyl)methyl]sulfanyl}-1H-indol-1-YL)ethyl]thiophene-2-carboxamide
CID 4319283
N-[1-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 9662989
N-(2-(1H-indol-3-yl)ethyl)-2-amino-5-phenylthiophene-3-carboxamide
CID 53383647

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide (CID 146014943) is 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide is O=C(Nc1cccc2[nH]ccc12)c1cc2ccc(Br)cc2s1.
What is the InChIKey of 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is REBSMDZUSJUELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2OS/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 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide?
6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 371.26 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 146014943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).