2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide

C20H24N2O4S — CID 17130749

IUPAC2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
SMILESCCOCCOc1ccc(NC(=S)NC(=O)c2ccccc2OCC)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-24-13-14-26-16-11-9-15(10-12-16)21-20(27)22-19(23)17-7-5-6-8-18(17)25-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,23,27)
InChIKeyRUUVTTKOTCQYJO-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.63
Rot. Bonds9

About 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide

2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide (PubChem CID 17130749) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
PubChem CID17130749
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
SMILESCCOCCOc1ccc(NC(=S)NC(=O)c2ccccc2OCC)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-24-13-14-26-16-11-9-15(10-12-16)21-20(27)22-19(23)17-7-5-6-8-18(17)25-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,23,27)
InChIKeyRUUVTTKOTCQYJO-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
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'}

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Related Compounds

2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]benzamide
CID 17130609
2-(2-ethoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123746
N-[(4-butoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4947260
N-[(4-anilinophenyl)carbamothioyl]-2-ethoxybenzamide
CID 4926669
N-[(4-heptoxyphenyl)carbamothioyl]-2-pentoxybenzamide
CID 4951666
2-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17122956
2-(2-ethoxyethoxy)-N-[(4-nitrophenyl)carbamothioyl]benzamide
CID 17122993
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954528
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide
CID 17130584
2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide
CID 4926674
4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide
CID 17112844

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide?
The IUPAC name of 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide (CID 17130749) is 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide is CCOCCOc1ccc(NC(=S)NC(=O)c2ccccc2OCC)cc1.
What is the InChIKey of 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide?
The InChIKey is RUUVTTKOTCQYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-24-13-14-26-16-11-9-15(10-12-16)21-20(27)22-19(23)17-7-5-6-8-18(17)25-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,21,22,23,27).
What are the key properties of 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide?
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 17130749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).