5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide

C10H13Br2NO2S — CID 106244834

IUPAC5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide
SMILESCOCC(Br)CCNC(=O)c1csc(Br)c1
InChIInChI=1S/C10H13Br2NO2S/c1-15-5-8(11)2-3-13-10(14)7-4-9(12)16-6-7/h4,6,8H,2-3,5H2,1H3,(H,13,14)
InChIKeyBZXVPDAIZZMIDE-UHFFFAOYSA-N
MW371.09 g/mol
LogP3.04
Rot. Bonds6

About 5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide

5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide (PubChem CID 106244834) has the molecular formula C10H13Br2NO2S and a molecular weight of 371.09 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide
PubChem CID106244834
Molecular FormulaC10H13Br2NO2S
Molecular Weight371.09 g/mol
Exact Mass368.90
IUPAC Name5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide
SMILESCOCC(Br)CCNC(=O)c1csc(Br)c1
InChIInChI=1S/C10H13Br2NO2S/c1-15-5-8(11)2-3-13-10(14)7-4-9(12)16-6-7/h4,6,8H,2-3,5H2,1H3,(H,13,14)
InChIKeyBZXVPDAIZZMIDE-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.09
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
4-[(5-bromothiophene-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538251
N-(3-bromo-4-methoxybutyl)-3,4,5-trifluorobenzamide
CID 106244860
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034
N-(3-bromo-4-methoxybutyl)-3-methoxybenzamide
CID 114163322
N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
CID 106244827
N-(3-bromo-4-methoxybutyl)-3-(dimethylamino)benzamide
CID 106245278
N-(3-bromo-4-methoxybutyl)-1H-pyrazole-4-carboxamide
CID 106244861
N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
CID 106244946
N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
CID 106245135
4-bromo-N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244885
methyl 6-[(5-bromothiophene-3-carbonyl)amino]hexanoate
CID 43423629

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide (CID 106244834) is 5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide is COCC(Br)CCNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide?
The InChIKey is BZXVPDAIZZMIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2S/c1-15-5-8(11)2-3-13-10(14)7-4-9(12)16-6-7/h4,6,8H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide?
5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide has a molecular weight of 371.09 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide is sourced from PubChem (CID 106244834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).