N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide

C11H14BrNO2S — CID 115167730

IUPACN-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)CCS
InChIInChI=1S/C11H14BrNO2S/c1-13(11(14)5-6-16)9-7-8(12)3-4-10(9)15-2/h3-4,7,16H,5-6H2,1-2H3
InChIKeyQZXMJDKKBHIRCL-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.74
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide

N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide (PubChem CID 115167730) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide
PubChem CID115167730
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC NameN-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)CCS
InChIInChI=1S/C11H14BrNO2S/c1-13(11(14)5-6-16)9-7-8(12)3-4-10(9)15-2/h3-4,7,16H,5-6H2,1-2H3
InChIKeyQZXMJDKKBHIRCL-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide 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

N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide
CID 115162399
2-amino-N-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 82502070
N-(5-bromo-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193399
N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 115166038
3-(5-bromo-2-methoxy-N-methylanilino)propane-1-thiol
CID 115224713
N-(5-bromo-2-methoxyphenyl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186443
2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179710
3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide
CID 115153548
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
CID 115167004
3-(5-bromo-2-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163982
4-(5-bromo-2-methoxy-N-methylanilino)butanoic acid
CID 115218519
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182600

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide (CID 115167730) is N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide is COc1ccc(Br)cc1N(C)C(=O)CCS.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide?
The InChIKey is QZXMJDKKBHIRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-13(11(14)5-6-16)9-7-8(12)3-4-10(9)15-2/h3-4,7,16H,5-6H2,1-2H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide?
N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide has a molecular weight of 304.21 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-N-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 115167730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).