4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide

C14H20N2O4S — CID 17353811

IUPAC4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide
SMILESCOCCNC(=S)NC(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C14H20N2O4S/c1-18-8-7-15-14(21)16-13(17)11-3-5-12(6-4-11)20-10-9-19-2/h3-6H,7-10H2,1-2H3,(H2,15,16,17,21)
InChIKeySVQCEVMKADNNEX-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.96
Rot. Bonds8

About 4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide

4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide (PubChem CID 17353811) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide
PubChem CID17353811
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide
SMILESCOCCNC(=S)NC(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C14H20N2O4S/c1-18-8-7-15-14(21)16-13(17)11-3-5-12(6-4-11)20-10-9-19-2/h3-6H,7-10H2,1-2H3,(H2,15,16,17,21)
InChIKeySVQCEVMKADNNEX-UHFFFAOYSA-N
XLogP0.96
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.96
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-methoxyethylcarbamothioyl)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

4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide
CID 2218771
N-(benzylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
CID 17353739
4-[(4-butoxybenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17218467
N-(3-methoxypropylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17140196
N-(cyclopentylcarbamothioyl)-4-(2-methoxyethoxy)benzamide
CID 17353863
N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-4-methylbenzamide
CID 17340536
methyl 4-[[4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17353758
4-(3-methylbutoxy)-N-(propylcarbamothioyl)benzamide
CID 4949147
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787
3-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17219341
4-ethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822939
N-(ethylcarbamothioyl)-4-hexoxybenzamide
CID 4934176

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide (CID 17353811) is 4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide is COCCNC(=S)NC(=O)c1ccc(OCCOC)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide?
The InChIKey is SVQCEVMKADNNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-18-8-7-15-14(21)16-13(17)11-3-5-12(6-4-11)20-10-9-19-2/h3-6H,7-10H2,1-2H3,(H2,15,16,17,21).
What are the key properties of 4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide?
4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide has a molecular weight of 312.39 g/mol, XLogP of 0.96, 8 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-methoxyethylcarbamothioyl)benzamide is sourced from PubChem (CID 17353811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).