5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide

C12H18BrNOS — CID 78965929

IUPAC5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
SMILESCC(CNC(=O)c1csc(Br)c1)C(C)(C)C
InChIInChI=1S/C12H18BrNOS/c1-8(12(2,3)4)6-14-11(15)9-5-10(13)16-7-9/h5,7-8H,6H2,1-4H3,(H,14,15)
InChIKeyPSLVCEYVOAQYDW-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.92
Rot. Bonds3

About 5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide

5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide (PubChem CID 78965929) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
PubChem CID78965929
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
SMILESCC(CNC(=O)c1csc(Br)c1)C(C)(C)C
InChIInChI=1S/C12H18BrNOS/c1-8(12(2,3)4)6-14-11(15)9-5-10(13)16-7-9/h5,7-8H,6H2,1-4H3,(H,14,15)
InChIKeyPSLVCEYVOAQYDW-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide
CID 111483887
(2S)-3-[(5-bromothiophene-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833350
4-[(5-bromothiophene-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538251
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromothiophene-3-carboxamide
CID 107965180
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 61061664
3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 104852960
5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide
CID 107966179
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 115884352

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide (CID 78965929) is 5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide is CC(CNC(=O)c1csc(Br)c1)C(C)(C)C.
What is the InChIKey of 5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide?
The InChIKey is PSLVCEYVOAQYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-8(12(2,3)4)6-14-11(15)9-5-10(13)16-7-9/h5,7-8H,6H2,1-4H3,(H,14,15).
What are the key properties of 5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide?
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide has a molecular weight of 304.25 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide is sourced from PubChem (CID 78965929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).