2-bromo-N-thiophen-3-ylthiophene-3-carboxamide

C9H6BrNOS2 — CID 164662365

IUPAC2-bromo-N-thiophen-3-ylthiophene-3-carboxamide
SMILESO=C(Nc1ccsc1)c1ccsc1Br
InChIInChI=1S/C9H6BrNOS2/c10-8-7(2-4-14-8)9(12)11-6-1-3-13-5-6/h1-5H,(H,11,12)
InChIKeyLINXYIUTBLVSPO-UHFFFAOYSA-N
MW288.19 g/mol
LogP3.82
Rot. Bonds2

About 2-bromo-N-thiophen-3-ylthiophene-3-carboxamide

2-bromo-N-thiophen-3-ylthiophene-3-carboxamide (PubChem CID 164662365) has the molecular formula C9H6BrNOS2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-bromo-N-thiophen-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-thiophen-3-ylthiophene-3-carboxamide
PubChem CID164662365
Molecular FormulaC9H6BrNOS2
Molecular Weight288.19 g/mol
Exact Mass286.91
IUPAC Name2-bromo-N-thiophen-3-ylthiophene-3-carboxamide
SMILESO=C(Nc1ccsc1)c1ccsc1Br
InChIInChI=1S/C9H6BrNOS2/c10-8-7(2-4-14-8)9(12)11-6-1-3-13-5-6/h1-5H,(H,11,12)
InChIKeyLINXYIUTBLVSPO-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-bromo-N-(2-hydroxy-5-methylphenyl)thiophene-3-carboxamide
CID 18422383
3-(methylamino)-N-thiophen-3-ylpyridine-4-carboxamide
CID 105070562
3-amino-N-thiophen-3-ylpyridine-4-carboxamide
CID 105070561
3-hydroxy-N-thiophen-3-ylbenzamide
CID 66353330
2-methyl-4-(methylamino)-N-thiophen-3-ylbenzamide
CID 113400222
2-amino-4-fluoro-N-thiophen-3-ylbenzamide
CID 66354589
4-chloro-N-thiophen-3-ylbenzamide
CID 174503980
2-(propan-2-ylamino)-N-thiophen-3-ylbenzamide
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CID 154848375

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-thiophen-3-ylthiophene-3-carboxamide?
The IUPAC name of 2-bromo-N-thiophen-3-ylthiophene-3-carboxamide (CID 164662365) is 2-bromo-N-thiophen-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-bromo-N-thiophen-3-ylthiophene-3-carboxamide?
The canonical SMILES for 2-bromo-N-thiophen-3-ylthiophene-3-carboxamide is O=C(Nc1ccsc1)c1ccsc1Br.
What is the InChIKey of 2-bromo-N-thiophen-3-ylthiophene-3-carboxamide?
The InChIKey is LINXYIUTBLVSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNOS2/c10-8-7(2-4-14-8)9(12)11-6-1-3-13-5-6/h1-5H,(H,11,12).
What are the key properties of 2-bromo-N-thiophen-3-ylthiophene-3-carboxamide?
2-bromo-N-thiophen-3-ylthiophene-3-carboxamide has a molecular weight of 288.19 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-thiophen-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 164662365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).