4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide

C15H14BrNO2S — CID 107019834

IUPAC4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Br)cc2S)cc1
InChIInChI=1S/C15H14BrNO2S/c1-2-19-12-6-4-11(5-7-12)17-15(18)13-8-3-10(16)9-14(13)20/h3-9,20H,2H2,1H3,(H,17,18)
InChIKeyFKFPJQDIFQNLNG-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.39
Rot. Bonds4

About 4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide

4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide (PubChem CID 107019834) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is 4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide
PubChem CID107019834
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Br)cc2S)cc1
InChIInChI=1S/C15H14BrNO2S/c1-2-19-12-6-4-11(5-7-12)17-15(18)13-8-3-10(16)9-14(13)20/h3-9,20H,2H2,1H3,(H,17,18)
InChIKeyFKFPJQDIFQNLNG-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3-ethoxyphenyl)-2-sulfanylbenzamide
CID 107025832
4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide
CID 107021257
2-bromo-N-(4-ethoxyphenyl)-5-sulfanylbenzamide
CID 107019829
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
3-bromo-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925302
5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide
CID 16651497
5-bromo-N-(4-ethoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 17046073
5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352919
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
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5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide?
The IUPAC name of 4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide (CID 107019834) is 4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide?
The canonical SMILES for 4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide is CCOc1ccc(NC(=O)c2ccc(Br)cc2S)cc1.
What is the InChIKey of 4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide?
The InChIKey is FKFPJQDIFQNLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c1-2-19-12-6-4-11(5-7-12)17-15(18)13-8-3-10(16)9-14(13)20/h3-9,20H,2H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide?
4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide has a molecular weight of 352.25 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107019834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).