5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide

C12H18BrNO2S — CID 113356537

IUPAC5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H18BrNO2S/c1-4-12(3,5-6-15)14-11(16)9-7-8(2)10(13)17-9/h7,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyJWIMTVHRPHPCSQ-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.10
Rot. Bonds5

About 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide

5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide (PubChem CID 113356537) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide
PubChem CID113356537
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C12H18BrNO2S/c1-4-12(3,5-6-15)14-11(16)9-7-8(2)10(13)17-9/h7,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyJWIMTVHRPHPCSQ-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylthiophene-2-carboxamide
CID 103825053
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103945941
4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106168914
N-(1-hydroxy-2-methylbutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 64556214
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79996495
4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide
CID 114303626
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-4-methylthiophene-2-carboxamide
CID 115364639
5-acetamido-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103946183
5-(4-hydroxybut-1-ynyl)-4-methyl-N-(3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106331042
N-(1-hydroxy-3-methylpentan-3-yl)-2-methyl-5-sulfanylbenzamide
CID 106173286
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide (CID 113356537) is 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide is CCC(C)(CCO)NC(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is JWIMTVHRPHPCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-4-12(3,5-6-15)14-11(16)9-7-8(2)10(13)17-9/h7,15H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 320.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 113356537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).