5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide

C11H15Br2NOS — CID 107966179

IUPAC5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide
SMILESCCC(CCBr)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C11H15Br2NOS/c1-2-8(3-4-12)6-14-11(15)9-5-10(13)16-7-9/h5,7-8H,2-4,6H2,1H3,(H,14,15)
InChIKeyQGFJHOOCSLWUPV-UHFFFAOYSA-N
MW369.12 g/mol
LogP4.05
Rot. Bonds6

About 5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide

5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide (PubChem CID 107966179) has the molecular formula C11H15Br2NOS and a molecular weight of 369.12 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide
PubChem CID107966179
Molecular FormulaC11H15Br2NOS
Molecular Weight369.12 g/mol
Exact Mass366.92
IUPAC Name5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide
SMILESCCC(CCBr)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C11H15Br2NOS/c1-2-8(3-4-12)6-14-11(15)9-5-10(13)16-7-9/h5,7-8H,2-4,6H2,1H3,(H,14,15)
InChIKeyQGFJHOOCSLWUPV-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
CID 114317617
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
3-bromo-N-(4-bromo-2-ethylbutyl)-4-chlorobenzamide
CID 107994072
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
N-(4-bromo-2-ethylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 114317795
(2S)-3-[(5-bromothiophene-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833350
N-(4-bromo-2-ethylbutyl)-3-(trifluoromethyl)benzamide
CID 114317719
3,5-dibromo-N-[2-(2-bromoethyl)pentyl]benzamide
CID 114145772
N-(4-bromo-2-ethylbutyl)-2,6-dihydroxybenzamide
CID 107691145

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide (CID 107966179) is 5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide is CCC(CCBr)CNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide?
The InChIKey is QGFJHOOCSLWUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NOS/c1-2-8(3-4-12)6-14-11(15)9-5-10(13)16-7-9/h5,7-8H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide?
5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide has a molecular weight of 369.12 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-ethylbutyl)thiophene-3-carboxamide is sourced from PubChem (CID 107966179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).