5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide

C14H14BrNO2S — CID 54913160

IUPAC5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrNO2S/c1-9(10-3-5-11(17)6-4-10)16(2)14(18)12-7-8-13(15)19-12/h3-9,17H,1-2H3
InChIKeyRSNXAZHWDVKUCS-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide

5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 54913160) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
PubChem CID54913160
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrNO2S/c1-9(10-3-5-11(17)6-4-10)16(2)14(18)12-7-8-13(15)19-12/h3-9,17H,1-2H3
InChIKeyRSNXAZHWDVKUCS-UHFFFAOYSA-N
XLogP4.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 61076317
5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 28739338
2,4-dibromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 107939270
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 39976179
5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695665
5-chloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913499
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044546
N-[1-(4-hydroxyphenyl)ethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 54913450
(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone
CID 82093989
2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide
CID 82121850
N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide
CID 114875153
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 61043579

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide (CID 54913160) is 5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide is CC(c1ccc(O)cc1)N(C)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is RSNXAZHWDVKUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-9(10-3-5-11(17)6-4-10)16(2)14(18)12-7-8-13(15)19-12/h3-9,17H,1-2H3.
What are the key properties of 5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 340.24 g/mol, XLogP of 4.05, 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-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 54913160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).