2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide

C12H9Br2NO2S — CID 114021335

IUPAC2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1cc(Br)sc1Br)c1cccc(O)c1
InChIInChI=1S/C12H9Br2NO2S/c1-15(7-3-2-4-8(16)5-7)12(17)9-6-10(13)18-11(9)14/h2-6,16H,1H3
InChIKeySVLXBTFPRJGBRZ-UHFFFAOYSA-N
MW391.08 g/mol
LogP4.26
Rot. Bonds2

About 2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide

2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide (PubChem CID 114021335) has the molecular formula C12H9Br2NO2S and a molecular weight of 391.08 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide
PubChem CID114021335
Molecular FormulaC12H9Br2NO2S
Molecular Weight391.08 g/mol
Exact Mass388.87
IUPAC Name2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide
SMILESCN(C(=O)c1cc(Br)sc1Br)c1cccc(O)c1
InChIInChI=1S/C12H9Br2NO2S/c1-15(7-3-2-4-8(16)5-7)12(17)9-6-10(13)18-11(9)14/h2-6,16H,1H3
InChIKeySVLXBTFPRJGBRZ-UHFFFAOYSA-N
XLogP4.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.08
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 107735567
2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733144
2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide
CID 107962236
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735649
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
N-(3-hydroxyphenyl)-5-(4-isocyanophenyl)-N-methylthiophene-2-carboxamide
CID 123580662
2-amino-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733131
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844
1-(2,5-dibromothiophen-3-yl)-2-(N-methylanilino)ethanone
CID 43227438
2,5-dibromo-N-(2-carbamothioylphenyl)-N-methylthiophene-3-carboxamide
CID 107961851

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide (CID 114021335) is 2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide is CN(C(=O)c1cc(Br)sc1Br)c1cccc(O)c1.
What is the InChIKey of 2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide?
The InChIKey is SVLXBTFPRJGBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO2S/c1-15(7-3-2-4-8(16)5-7)12(17)9-6-10(13)18-11(9)14/h2-6,16H,1H3.
What are the key properties of 2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide?
2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide has a molecular weight of 391.08 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 114021335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).