5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide

C11H10BrNOS2 — CID 55209412

IUPAC5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)c1ccsc1
InChIInChI=1S/C11H10BrNOS2/c1-7(8-2-3-15-5-8)13-11(14)9-4-10(12)16-6-9/h2-7H,1H3,(H,13,14)
InChIKeyXENLMZJXXJAGLL-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.06
Rot. Bonds3

About 5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide

5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide (PubChem CID 55209412) has the molecular formula C11H10BrNOS2 and a molecular weight of 316.25 g/mol. Its IUPAC name is 5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
PubChem CID55209412
Molecular FormulaC11H10BrNOS2
Molecular Weight316.25 g/mol
Exact Mass314.94
IUPAC Name5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)c1ccsc1
InChIInChI=1S/C11H10BrNOS2/c1-7(8-2-3-15-5-8)13-11(14)9-4-10(12)16-6-9/h2-7H,1H3,(H,13,14)
InChIKeyXENLMZJXXJAGLL-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 114020924
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide
CID 63523702
5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide
CID 63525114
4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide
CID 102851621
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 61343707
2,4-dibromo-N-(1-thiophen-3-ylethyl)benzamide
CID 107952380
6-amino-5-chloro-N-(1-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62842868
5-bromo-N-[1-(3-nitrophenyl)ethyl]thiophene-3-carboxamide
CID 47267855
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide (CID 55209412) is 5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide is CC(NC(=O)c1csc(Br)c1)c1ccsc1.
What is the InChIKey of 5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide?
The InChIKey is XENLMZJXXJAGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS2/c1-7(8-2-3-15-5-8)13-11(14)9-4-10(12)16-6-9/h2-7H,1H3,(H,13,14).
What are the key properties of 5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide?
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide has a molecular weight of 316.25 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 55209412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).