2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide

C15H14BrNO2S — CID 107027611

IUPAC2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1cc(S)ccc1Br
InChIInChI=1S/C15H14BrNO2S/c1-17(13-5-3-4-6-14(13)19-2)15(18)11-9-10(20)7-8-12(11)16/h3-9,20H,1-2H3
InChIKeyPELIYUOEOZDZEK-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.02
Rot. Bonds3

About 2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide

2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide (PubChem CID 107027611) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
PubChem CID107027611
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1cc(S)ccc1Br
InChIInChI=1S/C15H14BrNO2S/c1-17(13-5-3-4-6-14(13)19-2)15(18)11-9-10(20)7-8-12(11)16/h3-9,20H,1-2H3
InChIKeyPELIYUOEOZDZEK-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027609
N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide
CID 107027620
5-bromo-4-chloro-2-hydroxy-N-(2-methoxyphenyl)-N-methylbenzamide
CID 68602584
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
CID 103908080
2-bromo-N-(2,4-dimethylphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027687
2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide
CID 103853420
5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 79926894
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
2-trimethylsilylethyl 2-[4-bromo-5-chloro-2-[(2-methoxyphenyl)-methylcarbamoyl]phenyl]acetate
CID 68602979
2-bromo-N-(2-methoxyphenyl)-N,2-dimethyl-3-oxobutanamide
CID 135072686
3-fluoro-2-hydrazinyl-N-(2-methoxyphenyl)-N-methylbenzamide
CID 62661140
N-(2-methoxyphenyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103762954

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide?
The IUPAC name of 2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide (CID 107027611) is 2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide?
The canonical SMILES for 2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide is COc1ccccc1N(C)C(=O)c1cc(S)ccc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide?
The InChIKey is PELIYUOEOZDZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c1-17(13-5-3-4-6-14(13)19-2)15(18)11-9-10(20)7-8-12(11)16/h3-9,20H,1-2H3.
What are the key properties of 2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide?
2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide has a molecular weight of 352.25 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107027611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).