3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide

C11H8BrNO2S2 — CID 58248872

IUPAC3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sccc1Br)c1cccs1
InChIInChI=1S/C11H8BrNO2S2/c12-7-3-5-17-10(7)11(15)13-6-8(14)9-2-1-4-16-9/h1-5H,6H2,(H,13,15)
InChIKeyWFNIVSIRQHDBPM-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.18
Rot. Bonds4

About 3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide

3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 58248872) has the molecular formula C11H8BrNO2S2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID58248872
Molecular FormulaC11H8BrNO2S2
Molecular Weight330.23 g/mol
Exact Mass328.92
IUPAC Name3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sccc1Br)c1cccs1
InChIInChI=1S/C11H8BrNO2S2/c12-7-3-5-17-10(7)11(15)13-6-8(14)9-2-1-4-16-9/h1-5H,6H2,(H,13,15)
InChIKeyWFNIVSIRQHDBPM-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(5-methylthiophen-2-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 58248831
N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856376
4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 13105423
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
3-bromo-N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 115598761
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953
3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 60778137
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 82121213
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide
CID 94259803
3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 60778066

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 58248872) is 3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide is O=C(CNC(=O)c1sccc1Br)c1cccs1.
What is the InChIKey of 3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is WFNIVSIRQHDBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2S2/c12-7-3-5-17-10(7)11(15)13-6-8(14)9-2-1-4-16-9/h1-5H,6H2,(H,13,15).
What are the key properties of 3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 58248872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).