4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide

C10H12BrNOS — CID 107022327

IUPAC4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide
SMILESCCN(C)C(=O)c1ccc(Br)cc1S
InChIInChI=1S/C10H12BrNOS/c1-3-12(2)10(13)8-5-4-7(11)6-9(8)14/h4-6,14H,3H2,1-2H3
InChIKeyAIPFSEIMCKJIIZ-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.83
Rot. Bonds2

About 4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide

4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide (PubChem CID 107022327) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide
PubChem CID107022327
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide
SMILESCCN(C)C(=O)c1ccc(Br)cc1S
InChIInChI=1S/C10H12BrNOS/c1-3-12(2)10(13)8-5-4-7(11)6-9(8)14/h4-6,14H,3H2,1-2H3
InChIKeyAIPFSEIMCKJIIZ-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide
CID 107022449
4-bromo-N-[3-(dimethylamino)propyl]-N-methyl-2-sulfanylbenzamide
CID 107029984
4-bromo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-sulfanylbenzamide
CID 107024860
4-bromo-N-butyl-N-ethyl-2-sulfanylbenzamide
CID 107020809
4-bromo-N,N-dibutyl-2-sulfanylbenzamide
CID 107022149
4-bromo-N-methyl-N-(3-methylbutan-2-yl)-2-sulfanylbenzamide
CID 107023162
4-bromo-N-[2-(diethylamino)ethyl]-2-sulfanylbenzamide
CID 107019687
4-bromo-N,N-bis(2-ethoxyethyl)-2-sulfanylbenzamide
CID 107033845
4-bromo-N,N-bis(3-methylbutyl)-2-sulfanylbenzamide
CID 107871654
4-bromo-N-(4,4-dimethylcyclohexyl)-N-methyl-2-sulfanylbenzamide
CID 107032506
4-bromo-N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylbenzamide
CID 107026858
4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-sulfanylbenzamide
CID 107026297

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide?
The IUPAC name of 4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide (CID 107022327) is 4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide?
The canonical SMILES for 4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide is CCN(C)C(=O)c1ccc(Br)cc1S.
What is the InChIKey of 4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide?
The InChIKey is AIPFSEIMCKJIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-3-12(2)10(13)8-5-4-7(11)6-9(8)14/h4-6,14H,3H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide?
4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide has a molecular weight of 274.18 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-methyl-2-sulfanylbenzamide is sourced from PubChem (CID 107022327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).