5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide

C13H12BrNO2S — CID 107735567

IUPAC5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccc(O)c2)sc1Br
InChIInChI=1S/C13H12BrNO2S/c1-8-6-11(18-12(8)14)13(17)15(2)9-4-3-5-10(16)7-9/h3-7,16H,1-2H3
InChIKeyMKSXYMFBWSDMLT-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.80
Rot. Bonds2

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

5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide (PubChem CID 107735567) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide
PubChem CID107735567
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)c2cccc(O)c2)sc1Br
InChIInChI=1S/C13H12BrNO2S/c1-8-6-11(18-12(8)14)13(17)15(2)9-4-3-5-10(16)7-9/h3-7,16H,1-2H3
InChIKeyMKSXYMFBWSDMLT-UHFFFAOYSA-N
XLogP3.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(3-hydroxyphenyl)-N-methylthiophene-3-carboxamide
CID 114021335
5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79986290
N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 107736172
5-bromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N,4-dimethylthiophene-2-carboxamide
CID 79999791
4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 79926894
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
N-(3-hydroxyphenyl)-5-(4-isocyanophenyl)-N-methylthiophene-2-carboxamide
CID 123580662
N-(3-hydroxyphenyl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 107735872
(3-hydroxyphenyl)-methylcarbamic acid
CID 20544632
2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733144

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide (CID 107735567) is 5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)N(C)c2cccc(O)c2)sc1Br.
What is the InChIKey of 5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is MKSXYMFBWSDMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-8-6-11(18-12(8)14)13(17)15(2)9-4-3-5-10(16)7-9/h3-7,16H,1-2H3.
What are the key properties of 5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide?
5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 107735567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).