3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide

C29H26N2O3S — CID 17134770

IUPAC3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1OCc1ccccc1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C29H26N2O3S/c32-28(24-14-9-15-25(20-24)33-19-18-22-10-3-1-4-11-22)31-29(35)30-26-16-7-8-17-27(26)34-21-23-12-5-2-6-13-23/h1-17,20H,18-19,21H2,(H2,30,31,32,35)
InChIKeyXEVVXLPDEHEZAA-UHFFFAOYSA-N
MW482.61 g/mol
LogP6.01
Rot. Bonds9

About 3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide

3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide (PubChem CID 17134770) has the molecular formula C29H26N2O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is 3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
PubChem CID17134770
Molecular FormulaC29H26N2O3S
Molecular Weight482.61 g/mol
Exact Mass482.17
IUPAC Name3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1OCc1ccccc1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C29H26N2O3S/c32-28(24-14-9-15-25(20-24)33-19-18-22-10-3-1-4-11-22)31-29(35)30-26-16-7-8-17-27(26)34-21-23-12-5-2-6-13-23/h1-17,20H,18-19,21H2,(H2,30,31,32,35)
InChIKeyXEVVXLPDEHEZAA-UHFFFAOYSA-N
XLogP6.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]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-tert-butyl-2-[[3-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 17134713
N-[(2,3-dichlorophenyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134669
3-(2-phenoxyethoxy)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17142352
3-(2-phenylethoxy)-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17134789
N-[(2,4-dichlorophenyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134570
3-(2-phenylethoxy)-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 17134886
N-[(4-bromophenyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134586
N-[(4-iodophenyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134593
N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131025
N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide
CID 2901874
N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142390
3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 17139907

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide (CID 17134770) is 3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccccc1OCc1ccccc1)c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide?
The InChIKey is XEVVXLPDEHEZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3S/c32-28(24-14-9-15-25(20-24)33-19-18-22-10-3-1-4-11-22)31-29(35)30-26-16-7-8-17-27(26)34-21-23-12-5-2-6-13-23/h1-17,20H,18-19,21H2,(H2,30,31,32,35).
What are the key properties of 3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide?
3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide has a molecular weight of 482.61 g/mol, XLogP of 6.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethoxy)-N-[(2-phenylmethoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17134770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).