4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide

C11H14BrNOS — CID 107022449

IUPAC4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide
SMILESCCCN(C)C(=O)c1ccc(Br)cc1S
InChIInChI=1S/C11H14BrNOS/c1-3-6-13(2)11(14)9-5-4-8(12)7-10(9)15/h4-5,7,15H,3,6H2,1-2H3
InChIKeyZYEBHTMBQZPESD-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.22
Rot. Bonds3

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

4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide (PubChem CID 107022449) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide
PubChem CID107022449
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide
SMILESCCCN(C)C(=O)c1ccc(Br)cc1S
InChIInChI=1S/C11H14BrNOS/c1-3-6-13(2)11(14)9-5-4-8(12)7-10(9)15/h4-5,7,15H,3,6H2,1-2H3
InChIKeyZYEBHTMBQZPESD-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-N-methyl-N-propyl-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-ethyl-N-methyl-2-sulfanylbenzamide
CID 107022327
4-bromo-N-[3-(dimethylamino)propyl]-N-methyl-2-sulfanylbenzamide
CID 107029984
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
4-bromo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-sulfanylbenzamide
CID 107024860
4-bromo-N,N-dibutyl-2-sulfanylbenzamide
CID 107022149
4-bromo-N-butyl-N-ethyl-2-sulfanylbenzamide
CID 107020809
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-methyl-N-(3-methylbutan-2-yl)-2-sulfanylbenzamide
CID 107023162
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
CID 107872178
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide?
The IUPAC name of 4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide (CID 107022449) is 4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide.
What is the SMILES notation for 4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide?
The canonical SMILES for 4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide is CCCN(C)C(=O)c1ccc(Br)cc1S.
What is the InChIKey of 4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide?
The InChIKey is ZYEBHTMBQZPESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-3-6-13(2)11(14)9-5-4-8(12)7-10(9)15/h4-5,7,15H,3,6H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide?
4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide has a molecular weight of 288.21 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide is sourced from PubChem (CID 107022449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).