5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide

C12H10BrNO2S — CID 28739338

IUPAC5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)s1)c1ccc(O)cc1
InChIInChI=1S/C12H10BrNO2S/c1-14(8-2-4-9(15)5-3-8)12(16)10-6-7-11(13)17-10/h2-7,15H,1H3
InChIKeyTXSQICNLQBMHEW-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.49
Rot. Bonds2

About 5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide

5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide (PubChem CID 28739338) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide
PubChem CID28739338
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)s1)c1ccc(O)cc1
InChIInChI=1S/C12H10BrNO2S/c1-14(8-2-4-9(15)5-3-8)12(16)10-6-7-11(13)17-10/h2-7,15H,1H3
InChIKeyTXSQICNLQBMHEW-UHFFFAOYSA-N
XLogP3.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide (CID 28739338) is 5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide is CN(C(=O)c1ccc(Br)s1)c1ccc(O)cc1.
What is the InChIKey of 5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
The InChIKey is TXSQICNLQBMHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c1-14(8-2-4-9(15)5-3-8)12(16)10-6-7-11(13)17-10/h2-7,15H,1H3.
What are the key properties of 5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide?
5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 28739338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).