4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide

C26H28N2O4S — CID 17131623

IUPAC4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
SMILESCOCCOc1ccc(C(=O)NC(=S)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-30-18-19-31-22-15-13-21(14-16-22)25(29)28-26(33)27-23-11-5-6-12-24(23)32-17-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-16H,7,10,17-19H2,1H3,(H2,27,28,29,33)
InChIKeyTUYTWWPSJYDHTD-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.85
Rot. Bonds11

About 4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide

4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide (PubChem CID 17131623) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
PubChem CID17131623
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
SMILESCOCCOc1ccc(C(=O)NC(=S)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-30-18-19-31-22-15-13-21(14-16-22)25(29)28-26(33)27-23-11-5-6-12-24(23)32-17-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-16H,7,10,17-19H2,1H3,(H2,27,28,29,33)
InChIKeyTUYTWWPSJYDHTD-UHFFFAOYSA-N
XLogP4.85
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]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-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131025
4-hexoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131060
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17074414
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxybenzamide
CID 4950954
4-nitro-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131039
N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-pentoxybenzamide
CID 17113361
2-butoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131066
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17130341
N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177779
N-phenyl-2-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 4956837

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide (CID 17131623) is 4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide is COCCOc1ccc(C(=O)NC(=S)Nc2ccccc2OCCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide?
The InChIKey is TUYTWWPSJYDHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-30-18-19-31-22-15-13-21(14-16-22)25(29)28-26(33)27-23-11-5-6-12-24(23)32-17-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-16H,7,10,17-19H2,1H3,(H2,27,28,29,33).
What are the key properties of 4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide?
4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide has a molecular weight of 464.59 g/mol, XLogP of 4.85, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 17131623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).