N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide

C28H24N2O2S — CID 3596364

IUPACN-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N2O2S/c31-27(29-20-21-12-4-1-5-13-21)24-18-10-11-19-25(24)30-28(32)26(22-14-6-2-7-15-22)33-23-16-8-3-9-17-23/h1-19,26H,20H2,(H,29,31)(H,30,32)
InChIKeyDLZZDRHYZMUHDS-UHFFFAOYSA-N
MW452.58 g/mol
LogP6.09
Rot. Bonds8

About N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide

N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide (PubChem CID 3596364) has the molecular formula C28H24N2O2S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
PubChem CID3596364
Molecular FormulaC28H24N2O2S
Molecular Weight452.58 g/mol
Exact Mass452.16
IUPAC NameN-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N2O2S/c31-27(29-20-21-12-4-1-5-13-21)24-18-10-11-19-25(24)30-28(32)26(22-14-6-2-7-15-22)33-23-16-8-3-9-17-23/h1-19,26H,20H2,(H,29,31)(H,30,32)
InChIKeyDLZZDRHYZMUHDS-UHFFFAOYSA-N
XLogP6.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]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

(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N-(2-hydroxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 42918814
N-(2-chlorophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904145
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 31493274
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
N-benzyl-2-(2-phenylethylcarbamothioylamino)benzamide
CID 4848241
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide
CID 2905293

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide (CID 3596364) is N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide is O=C(NCc1ccccc1)c1ccccc1NC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
The InChIKey is DLZZDRHYZMUHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2S/c31-27(29-20-21-12-4-1-5-13-21)24-18-10-11-19-25(24)30-28(32)26(22-14-6-2-7-15-22)33-23-16-8-3-9-17-23/h1-19,26H,20H2,(H,29,31)(H,30,32).
What are the key properties of N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide?
N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide has a molecular weight of 452.58 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 3596364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).