5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide

C14H14BrNO2S — CID 79989970

IUPAC5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CCO)cc2)sc1Br
InChIInChI=1S/C14H14BrNO2S/c1-9-8-12(19-13(9)15)14(18)16-11-4-2-10(3-5-11)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,16,18)
InChIKeyMIDIXFGWJHZDIF-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.61
Rot. Bonds4

About 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide

5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide (PubChem CID 79989970) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
PubChem CID79989970
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CCO)cc2)sc1Br
InChIInChI=1S/C14H14BrNO2S/c1-9-8-12(19-13(9)15)14(18)16-11-4-2-10(3-5-11)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,16,18)
InChIKeyMIDIXFGWJHZDIF-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide (CID 79989970) is 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(CCO)cc2)sc1Br.
What is the InChIKey of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide?
The InChIKey is MIDIXFGWJHZDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-9-8-12(19-13(9)15)14(18)16-11-4-2-10(3-5-11)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79989970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).