N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide

C15H14BrNO2S — CID 67411846

IUPACN-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1sccc1C(=O)c1ccccc1
InChIInChI=1S/C15H14BrNO2S/c1-15(2,16)14(19)17-13-11(8-9-20-13)12(18)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,19)
InChIKeyYSDZLSPVKNRMIJ-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.09
Rot. Bonds4

About N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide

N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide (PubChem CID 67411846) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide
PubChem CID67411846
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC NameN-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide
SMILESCC(C)(Br)C(=O)Nc1sccc1C(=O)c1ccccc1
InChIInChI=1S/C15H14BrNO2S/c1-15(2,16)14(19)17-13-11(8-9-20-13)12(18)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,19)
InChIKeyYSDZLSPVKNRMIJ-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.09
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

2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
CID 114327374
2-benzamidothiophene-3-carboxylic acid
CID 16639461
(2-arsanylthiophen-3-yl)-phenylmethanone
CID 173051807
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908
3-benzoylthiophene-2-carboxylate
CID 6995645
N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide
CID 71999399
2-acetamido-N-phenylthiophene-3-carboxamide
CID 901593
2,2-dimethylpropane;diphenylmethanone
CID 159191976
N-[3-(4-methylpent-1-en-2-yl)thiophen-2-yl]benzamide
CID 18331726
2-(3,3-dimethylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113457894
methyl 4-benzoyl-5-[(2-iodoacetyl)amino]thiophene-2-carboxylate
CID 43827435
methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
CID 7166897

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide?
The IUPAC name of N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide (CID 67411846) is N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide.
What is the SMILES notation for N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide?
The canonical SMILES for N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide is CC(C)(Br)C(=O)Nc1sccc1C(=O)c1ccccc1.
What is the InChIKey of N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide?
The InChIKey is YSDZLSPVKNRMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c1-15(2,16)14(19)17-13-11(8-9-20-13)12(18)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide?
N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide has a molecular weight of 352.25 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylthiophen-2-yl)-2-bromo-2-methylpropanamide is sourced from PubChem (CID 67411846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).