3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide

C24H24N2O2S — CID 17067068

IUPAC3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2S/c27-23(16-11-19-7-3-1-4-8-19)26-24(29)25-21-12-14-22(15-13-21)28-18-17-20-9-5-2-6-10-20/h1-10,12-15H,11,16-18H2,(H2,25,26,27,29)
InChIKeyPBACXLYOCPQTHS-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.75
Rot. Bonds8

About 3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide

3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide (PubChem CID 17067068) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide
PubChem CID17067068
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide
SMILESO=C(CCc1ccccc1)NC(=S)Nc1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C24H24N2O2S/c27-23(16-11-19-7-3-1-4-8-19)26-24(29)25-21-12-14-22(15-13-21)28-18-17-20-9-5-2-6-10-20/h1-10,12-15H,11,16-18H2,(H2,25,26,27,29)
InChIKeyPBACXLYOCPQTHS-UHFFFAOYSA-N
XLogP4.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]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

N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-phenylpropanamide
CID 4958273
methyl 4-oxo-4-[[4-(2-phenylethoxy)phenyl]carbamothioylamino]butanoate
CID 17067112
2-methoxyethyl 4-oxo-4-[[4-(2-phenylethoxy)phenyl]carbamothioylamino]butanoate
CID 17067153
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
3-phenyl-N-[4-(3-phenylpropanoylcarbamothioylamino)phenyl]propanamide
CID 17233671
methyl 4-oxo-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate
CID 17130313
1-phenyl-3-[4-(2-phenylethoxy)phenyl]thiourea
CID 17066893
3-(2-chlorophenyl)-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]propanamide
CID 17179432
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]octanamide
CID 17130350
N-[(4-acetamidophenyl)carbamothioyl]-3-phenylpropanamide
CID 916922
N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide
CID 4956814
N-[(4-acetamidophenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956797

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide?
The IUPAC name of 3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide (CID 17067068) is 3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide?
The canonical SMILES for 3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide is O=C(CCc1ccccc1)NC(=S)Nc1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide?
The InChIKey is PBACXLYOCPQTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c27-23(16-11-19-7-3-1-4-8-19)26-24(29)25-21-12-14-22(15-13-21)28-18-17-20-9-5-2-6-10-20/h1-10,12-15H,11,16-18H2,(H2,25,26,27,29).
What are the key properties of 3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide?
3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide has a molecular weight of 404.54 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]propanamide is sourced from PubChem (CID 17067068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).