5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide

C9H11Br2NOS — CID 107966140

IUPAC5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
SMILESCC(Br)CCNC(=O)c1csc(Br)c1
InChIInChI=1S/C9H11Br2NOS/c1-6(10)2-3-12-9(13)7-4-8(11)14-5-7/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyHHAKBRUYKLSMAG-UHFFFAOYSA-N
MW341.07 g/mol
LogP3.41
Rot. Bonds4

About 5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide

5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide (PubChem CID 107966140) has the molecular formula C9H11Br2NOS and a molecular weight of 341.07 g/mol. Its IUPAC name is 5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
PubChem CID107966140
Molecular FormulaC9H11Br2NOS
Molecular Weight341.07 g/mol
Exact Mass338.89
IUPAC Name5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
SMILESCC(Br)CCNC(=O)c1csc(Br)c1
InChIInChI=1S/C9H11Br2NOS/c1-6(10)2-3-12-9(13)7-4-8(11)14-5-7/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyHHAKBRUYKLSMAG-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.07
LogP ≤ 53.41
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

4-[(5-bromothiophene-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538251
5-bromo-N-(3-bromo-4-methoxybutyl)thiophene-3-carboxamide
CID 106244834
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
N-(3-aminopropyl)-5-bromothiophene-3-carboxamide
CID 61249682
5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
CID 107966303
5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
CID 103805592
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide
CID 111483887
N-(3-hydroxybutyl)-5-iodothiophene-3-carboxamide
CID 78995528

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide (CID 107966140) is 5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide is CC(Br)CCNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide?
The InChIKey is HHAKBRUYKLSMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NOS/c1-6(10)2-3-12-9(13)7-4-8(11)14-5-7/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide?
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide has a molecular weight of 341.07 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide is sourced from PubChem (CID 107966140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).