5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide

C11H16BrNO2S — CID 65111095

IUPAC5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-3-11(15,4-2)7-13-10(14)8-5-9(12)16-6-8/h5-6,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyGQSPDNHWIHOEPF-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.79
Rot. Bonds5

About 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide

5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide (PubChem CID 65111095) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
PubChem CID65111095
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-3-11(15,4-2)7-13-10(14)8-5-9(12)16-6-8/h5-6,15H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyGQSPDNHWIHOEPF-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide
CID 111483887
5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide
CID 111481159
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
5-bromo-N-[3-(chloromethyl)pentan-3-yl]thiophene-3-carboxamide
CID 107966069
5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
CID 103805592
5-bromo-N-(1-bromo-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966156
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64557581
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide
CID 64695293
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
4-[(5-bromothiophene-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538251
5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide (CID 65111095) is 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide is CCC(O)(CC)CNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide?
The InChIKey is GQSPDNHWIHOEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-3-11(15,4-2)7-13-10(14)8-5-9(12)16-6-8/h5-6,15H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide?
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide has a molecular weight of 306.23 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide is sourced from PubChem (CID 65111095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).