3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide

C11H16BrNOS — CID 64596699

IUPAC3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNOS/c1-7(2)8(3)6-13-11(14)10-9(12)4-5-15-10/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyJABOQUYLNAYUHQ-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.53
Rot. Bonds4

About 3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide

3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide (PubChem CID 64596699) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
PubChem CID64596699
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
SMILESCC(C)C(C)CNC(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNOS/c1-7(2)8(3)6-13-11(14)10-9(12)4-5-15-10/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyJABOQUYLNAYUHQ-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
3-bromo-N-(4-bromo-2-methylbutyl)thiophene-2-carboxamide
CID 114316813
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 47220275
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65218001
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473902
3-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 55150022
4-[(3-bromothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538498
3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide
CID 106129487
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide
CID 115301004
3-bromo-N-(2-cyclopentyl-2-hydroxyethyl)thiophene-2-carboxamide
CID 111426282

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide (CID 64596699) is 3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide is CC(C)C(C)CNC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide?
The InChIKey is JABOQUYLNAYUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-7(2)8(3)6-13-11(14)10-9(12)4-5-15-10/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of 3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide?
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide has a molecular weight of 290.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 64596699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).