5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide

C12H10BrNO2S — CID 79989528

IUPAC5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(O)c2)sc1Br
InChIInChI=1S/C12H10BrNO2S/c1-7-5-10(17-11(7)13)12(16)14-8-3-2-4-9(15)6-8/h2-6,15H,1H3,(H,14,16)
InChIKeyOLFKBHLLSPPHEK-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.78
Rot. Bonds2

About 5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide (PubChem CID 79989528) has the molecular formula C12H10BrNO2S and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
PubChem CID79989528
Molecular FormulaC12H10BrNO2S
Molecular Weight312.19 g/mol
Exact Mass310.96
IUPAC Name5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(O)c2)sc1Br
InChIInChI=1S/C12H10BrNO2S/c1-7-5-10(17-11(7)13)12(16)14-8-3-2-4-9(15)6-8/h2-6,15H,1H3,(H,14,16)
InChIKeyOLFKBHLLSPPHEK-UHFFFAOYSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 79917096
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79914678
5-bromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 79989759
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
5-bromo-4-methyl-N-(3-pyrazol-1-ylphenyl)thiophene-2-carboxamide
CID 79916381
5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 79959546
2-bromo-5-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 115295672
5-bromo-4-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 79915544
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
CID 79989758
6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 79981535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide (CID 79989528) is 5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cccc(O)c2)sc1Br.
What is the InChIKey of 5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is OLFKBHLLSPPHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2S/c1-7-5-10(17-11(7)13)12(16)14-8-3-2-4-9(15)6-8/h2-6,15H,1H3,(H,14,16).
What are the key properties of 5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79989528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).