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

C10H13Br2NOS — CID 107966303

IUPAC5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
SMILESCC(Br)CCN(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C10H13Br2NOS/c1-7(11)3-4-13(2)10(14)8-5-9(12)15-6-8/h5-7H,3-4H2,1-2H3
InChIKeyZISFMBGZXMRCAI-UHFFFAOYSA-N
MW355.10 g/mol
LogP3.76
Rot. Bonds4

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

5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide (PubChem CID 107966303) has the molecular formula C10H13Br2NOS and a molecular weight of 355.10 g/mol. Its IUPAC name is 5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
PubChem CID107966303
Molecular FormulaC10H13Br2NOS
Molecular Weight355.10 g/mol
Exact Mass352.91
IUPAC Name5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
SMILESCC(Br)CCN(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C10H13Br2NOS/c1-7(11)3-4-13(2)10(14)8-5-9(12)15-6-8/h5-7H,3-4H2,1-2H3
InChIKeyZISFMBGZXMRCAI-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 53.76
H-Bond Donors ≤ 50
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-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 78924793
5-bromo-N,N-bis(3-methylbutyl)thiophene-3-carboxamide
CID 63525816
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 86832629
5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
CID 62861189
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
CID 62053997
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
CID 63866512
5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735624
5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
CID 63707382
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
CID 105418295
N-(4-amino-4-sulfanylidenebutan-2-yl)-5-bromo-N-methylthiophene-3-carboxamide
CID 107961791
5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 38362636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide (CID 107966303) is 5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide is CC(Br)CCN(C)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide?
The InChIKey is ZISFMBGZXMRCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NOS/c1-7(11)3-4-13(2)10(14)8-5-9(12)15-6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide?
5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide has a molecular weight of 355.10 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 107966303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).