N-[2-(2-phenylethanethioyl)phenyl]benzamide

C21H17NOS — CID 132532591

IUPACN-[2-(2-phenylethanethioyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=S)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NOS/c23-21(17-11-5-2-6-12-17)22-19-14-8-7-13-18(19)20(24)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,22,23)
InChIKeyPFAVIHQOGISCIO-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.90
Rot. Bonds5

About N-[2-(2-phenylethanethioyl)phenyl]benzamide

N-[2-(2-phenylethanethioyl)phenyl]benzamide (PubChem CID 132532591) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[2-(2-phenylethanethioyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-phenylethanethioyl)phenyl]benzamide
PubChem CID132532591
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC NameN-[2-(2-phenylethanethioyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=S)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NOS/c23-21(17-11-5-2-6-12-17)22-19-14-8-7-13-18(19)20(24)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,22,23)
InChIKeyPFAVIHQOGISCIO-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[2-(2-phenylethanethioyl)phenyl]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

2-benzamidobenzamide
CID 702115
2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzamide
CID 17119515
zinc bis(2-benzamidobenzoate)
CID 67586546
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226
2-[[4-(benzylsulfanylmethyl)benzoyl]amino]benzoate
CID 6980992
(2R)-2-[(2-benzamidobenzoyl)amino]-3-phenylpropanoic acid
CID 1366278
2-(benzoylcarbamothioylamino)-N-benzylbenzamide
CID 4930615
2-[[3-(aminomethyl)benzoyl]amino]benzoic acid
CID 82546564
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 30548525
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
2-benzamido-N-[(2-methylphenyl)methyl]benzamide
CID 9488926

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethanethioyl)phenyl]benzamide?
The IUPAC name of N-[2-(2-phenylethanethioyl)phenyl]benzamide (CID 132532591) is N-[2-(2-phenylethanethioyl)phenyl]benzamide.
What is the SMILES notation for N-[2-(2-phenylethanethioyl)phenyl]benzamide?
The canonical SMILES for N-[2-(2-phenylethanethioyl)phenyl]benzamide is O=C(Nc1ccccc1C(=S)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(2-phenylethanethioyl)phenyl]benzamide?
The InChIKey is PFAVIHQOGISCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NOS/c23-21(17-11-5-2-6-12-17)22-19-14-8-7-13-18(19)20(24)15-16-9-3-1-4-10-16/h1-14H,15H2,(H,22,23).
What are the key properties of N-[2-(2-phenylethanethioyl)phenyl]benzamide?
N-[2-(2-phenylethanethioyl)phenyl]benzamide has a molecular weight of 331.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethanethioyl)phenyl]benzamide is sourced from PubChem (CID 132532591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).