3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide

C20H24N2O4S — CID 17230594

IUPAC3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NC(=S)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-3-25-11-12-26-18-6-4-5-16(13-18)19(23)22-20(27)21-14-15-7-9-17(24-2)10-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H2,21,22,23,27)
InChIKeyXBLLDWBXMFGUIW-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.91
Rot. Bonds9

About 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide

3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide (PubChem CID 17230594) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
PubChem CID17230594
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NC(=S)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-3-25-11-12-26-18-6-4-5-16(13-18)19(23)22-20(27)21-14-15-7-9-17(24-2)10-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H2,21,22,23,27)
InChIKeyXBLLDWBXMFGUIW-UHFFFAOYSA-N
XLogP2.91
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.91
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 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]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

3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 17139837
3-(2-ethoxyethoxy)-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170062
3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911154
3-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911263
3-(2-ethoxyethoxy)-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
CID 17139857
3-(2-ethoxyethoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide
CID 17139839
N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide
CID 17139843
3-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17219346
3-(2-ethoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 17139885
3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 17139907
4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 17112903
N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142797

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide (CID 17230594) is 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide is CCOCCOc1cccc(C(=O)NC(=S)NCc2ccc(OC)cc2)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide?
The InChIKey is XBLLDWBXMFGUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-25-11-12-26-18-6-4-5-16(13-18)19(23)22-20(27)21-14-15-7-9-17(24-2)10-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H2,21,22,23,27).
What are the key properties of 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide?
3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide is sourced from PubChem (CID 17230594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).