2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide

C16H15NO2S — CID 54287350

IUPAC2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1Sc1ccc(C=O)cc1
InChIInChI=1S/C16H15NO2S/c1-17(2)16(19)14-5-3-4-6-15(14)20-13-9-7-12(11-18)8-10-13/h3-11H,1-2H3
InChIKeyRVBONHMFRXTLTI-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide

2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide (PubChem CID 54287350) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide
PubChem CID54287350
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1Sc1ccc(C=O)cc1
InChIInChI=1S/C16H15NO2S/c1-17(2)16(19)14-5-3-4-6-15(14)20-13-9-7-12(11-18)8-10-13/h3-11H,1-2H3
InChIKeyRVBONHMFRXTLTI-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide 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,N-dimethyl-2-phenylsulfanylbenzamide
CID 21402688
4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide
CID 54513652
2-(4-formylphenyl)sulfanyl-4,5-dimethylbenzoic acid
CID 169227155
methyl 2-(3-formylphenyl)sulfanylbenzoate
CID 139661372
2-(cyanomethylsulfanyl)-N,N-dimethylbenzamide
CID 60692429
N-(4-amino-2-methylpyrimidin-5-yl)-2-(4-aminophenyl)sulfanyl-N-methylbenzamide
CID 139913870
bis[2-(4-aminophenyl)sulfanylphenyl]methanone
CID 67895042
2-(4-acetylphenyl)sulfanylbenzoic acid
CID 43627891
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide
CID 57461293
2-(4-fluorophenyl)sulfanylbenzoic acid
CID 14418768
2-formamido-N,N-dimethylbenzamide
CID 64992505

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide?
The IUPAC name of 2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide (CID 54287350) is 2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide.
What is the SMILES notation for 2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide?
The canonical SMILES for 2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1Sc1ccc(C=O)cc1.
What is the InChIKey of 2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide?
The InChIKey is RVBONHMFRXTLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-17(2)16(19)14-5-3-4-6-15(14)20-13-9-7-12(11-18)8-10-13/h3-11H,1-2H3.
What are the key properties of 2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide?
2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide has a molecular weight of 285.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenyl)sulfanyl-N,N-dimethylbenzamide is sourced from PubChem (CID 54287350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).