5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide

C9H11Br2NOS — CID 114313311

IUPAC5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
SMILESCC(CBr)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H11Br2NOS/c1-6(4-10)5-12-9(13)7-2-3-8(11)14-7/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyPJEPRUNPYNZVDP-UHFFFAOYSA-N
MW341.07 g/mol
LogP3.27
Rot. Bonds4

About 5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide

5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide (PubChem CID 114313311) has the molecular formula C9H11Br2NOS and a molecular weight of 341.07 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
PubChem CID114313311
Molecular FormulaC9H11Br2NOS
Molecular Weight341.07 g/mol
Exact Mass338.89
IUPAC Name5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
SMILESCC(CBr)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C9H11Br2NOS/c1-6(4-10)5-12-9(13)7-2-3-8(11)14-7/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyPJEPRUNPYNZVDP-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
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-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
CID 62666717
3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167024
5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 61073693
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604
5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
CID 114295719
5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
CID 115729394
N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119642989
5-bromo-N-(1-bromo-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106355067
methyl (2S)-2-[[2-[(5-bromothiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 47337781

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide (CID 114313311) is 5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide is CC(CBr)CNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is PJEPRUNPYNZVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NOS/c1-6(4-10)5-12-9(13)7-2-3-8(11)14-7/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide?
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 341.07 g/mol, XLogP of 3.27, 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-bromo-2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 114313311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).