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

C14H14BrNO2S — CID 63798305

IUPAC3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1sccc1Br
InChIInChI=1S/C14H14BrNO2S/c1-9(10-5-3-4-6-12(10)17)16(2)14(18)13-11(15)7-8-19-13/h3-9,17H,1-2H3
InChIKeyAPWZQOGNMVMUHC-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.05
Rot. Bonds3

About 3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide

3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 63798305) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
PubChem CID63798305
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1sccc1Br
InChIInChI=1S/C14H14BrNO2S/c1-9(10-5-3-4-6-12(10)17)16(2)14(18)13-11(15)7-8-19-13/h3-9,17H,1-2H3
InChIKeyAPWZQOGNMVMUHC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 60778218
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
2,4-dibromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 103885573
N-[1-(2-hydroxyphenyl)ethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 103799825
3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 61457823
N-(1-aminopropan-2-yl)-3-bromo-N-methylthiophene-2-carboxamide;hydrochloride
CID 119583431
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-phenylacetamide
CID 60953156
5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913059
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 62788080
2-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 103867282

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide (CID 63798305) is 3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide is CC(c1ccccc1O)N(C)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is APWZQOGNMVMUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-9(10-5-3-4-6-12(10)17)16(2)14(18)13-11(15)7-8-19-13/h3-9,17H,1-2H3.
What are the key properties of 3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide?
3-bromo-N-[1-(2-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 3-bromo-N-[1-(2-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 63798305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).