3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide

C25H25N3O2S — CID 17223129

IUPAC3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C25H25N3O2S/c29-23(16-14-19-8-3-1-4-9-19)26-21-12-7-13-22(18-21)27-25(31)28-24(30)17-15-20-10-5-2-6-11-20/h1-13,18H,14-17H2,(H,26,29)(H2,27,28,30,31)
InChIKeyLGLABJNQRZKAIO-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.70
Rot. Bonds8

About 3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide

3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide (PubChem CID 17223129) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
PubChem CID17223129
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C25H25N3O2S/c29-23(16-14-19-8-3-1-4-9-19)26-21-12-7-13-22(18-21)27-25(31)28-24(30)17-15-20-10-5-2-6-11-20/h1-13,18H,14-17H2,(H,26,29)(H2,27,28,30,31)
InChIKeyLGLABJNQRZKAIO-UHFFFAOYSA-N
XLogP4.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide 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

3-phenyl-N-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17233671
N-[(3-bromophenyl)carbamothioyl]-3-phenylpropanamide
CID 2226419
2,2-dimethyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17204688
3-chloro-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17223177
N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide
CID 916922
3-nitro-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17223130
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
3-phenyl-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168674
N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17223224
3-phenylpropyl 4-[[3-(butanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate
CID 17187712
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
3-phenyl-N-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide
CID 2962070

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide (CID 17223129) is 3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide is O=C(CCc1ccccc1)NC(=S)Nc1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of 3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide?
The InChIKey is LGLABJNQRZKAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c29-23(16-14-19-8-3-1-4-9-19)26-21-12-7-13-22(18-21)27-25(31)28-24(30)17-15-20-10-5-2-6-11-20/h1-13,18H,14-17H2,(H,26,29)(H2,27,28,30,31).
What are the key properties of 3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide?
3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide has a molecular weight of 431.56 g/mol, XLogP of 4.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide is sourced from PubChem (CID 17223129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).