N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide

C26H30N2O2S — CID 43909345

IUPACN-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide
SMILESCCN(CC)Cc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N2O2S/c1-3-28(4-2)20-21-10-14-23(15-11-21)27-26(29)22-12-16-24(17-13-22)30-18-19-31-25-8-6-5-7-9-25/h5-17H,3-4,18-20H2,1-2H3,(H,27,29)
InChIKeyACFNERWKAXEISO-UHFFFAOYSA-N
MW434.61 g/mol
LogP5.95
Rot. Bonds11

About N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide

N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 43909345) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID43909345
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC NameN-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide
SMILESCCN(CC)Cc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1
InChIInChI=1S/C26H30N2O2S/c1-3-28(4-2)20-21-10-14-23(15-11-21)27-26(29)22-12-16-24(17-13-22)30-18-19-31-25-8-6-5-7-9-25/h5-17H,3-4,18-20H2,1-2H3,(H,27,29)
InChIKeyACFNERWKAXEISO-UHFFFAOYSA-N
XLogP5.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide 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-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28578298
N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28571355
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92686107
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46771083
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43885433
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide (CID 43909345) is N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide is CCN(CC)Cc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is ACFNERWKAXEISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-3-28(4-2)20-21-10-14-23(15-11-21)27-26(29)22-12-16-24(17-13-22)30-18-19-31-25-8-6-5-7-9-25/h5-17H,3-4,18-20H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide?
N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 434.61 g/mol, XLogP of 5.95, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylaminomethyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 43909345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).