2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide

C10H13Br2NOS — CID 114328199

IUPAC2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(C)(C)Br
InChIInChI=1S/C10H13Br2NOS/c1-10(2,12)9(14)13(3)5-8-4-7(11)6-15-8/h4,6H,5H2,1-3H3
InChIKeyVKDVSSFDDHFOCY-UHFFFAOYSA-N
MW355.10 g/mol
LogP3.64
Rot. Bonds3

About 2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide

2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide (PubChem CID 114328199) has the molecular formula C10H13Br2NOS and a molecular weight of 355.10 g/mol. Its IUPAC name is 2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
PubChem CID114328199
Molecular FormulaC10H13Br2NOS
Molecular Weight355.10 g/mol
Exact Mass352.91
IUPAC Name2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(C)(C)Br
InChIInChI=1S/C10H13Br2NOS/c1-10(2,12)9(14)13(3)5-8-4-7(11)6-15-8/h4,6H,5H2,1-3H3
InChIKeyVKDVSSFDDHFOCY-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 53.64
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

2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62489282
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
N-[(4-bromothiophen-2-yl)methyl]-N-methylbut-2-ynamide
CID 107987924
2-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-methylamino]acetic acid
CID 54984285
1-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-1-methylguanidine
CID 76944247
4-N-[(4-bromothiophen-2-yl)methyl]-1-N-tert-butyl-4-N-methylbenzene-1,4-dicarboxamide
CID 48858058
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,5-dimethylbenzamide
CID 112695551
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
(2E,4E)-N-[(4-bromothiophen-2-yl)methyl]-N-methylhexa-2,4-dienamide
CID 55028857
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 55028858

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide (CID 114328199) is 2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide is CN(Cc1cc(Br)cs1)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide?
The InChIKey is VKDVSSFDDHFOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NOS/c1-10(2,12)9(14)13(3)5-8-4-7(11)6-15-8/h4,6H,5H2,1-3H3.
What are the key properties of 2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide?
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide has a molecular weight of 355.10 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 114328199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).