N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide

C13H8BrNOS2 — CID 112733182

IUPACN-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc2sccc2s1
InChIInChI=1S/C13H8BrNOS2/c14-8-2-1-3-9(6-8)15-13(16)12-7-11-10(18-12)4-5-17-11/h1-7H,(H,15,16)
InChIKeyAQRHSEYJLLLDTJ-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.98
Rot. Bonds2

About N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide

N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 112733182) has the molecular formula C13H8BrNOS2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID112733182
Molecular FormulaC13H8BrNOS2
Molecular Weight338.25 g/mol
Exact Mass336.92
IUPAC NameN-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc2sccc2s1
InChIInChI=1S/C13H8BrNOS2/c14-8-2-1-3-9(6-8)15-13(16)12-7-11-10(18-12)4-5-17-11/h1-7H,(H,15,16)
InChIKeyAQRHSEYJLLLDTJ-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide (CID 112733182) is N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide is O=C(Nc1cccc(Br)c1)c1cc2sccc2s1.
What is the InChIKey of N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is AQRHSEYJLLLDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNOS2/c14-8-2-1-3-9(6-8)15-13(16)12-7-11-10(18-12)4-5-17-11/h1-7H,(H,15,16).
What are the key properties of N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 338.25 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 112733182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).