4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide

C18H20N2O3S — CID 17112844

IUPAC4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide
SMILESCCOCCOc1ccc(C(=O)NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-22-12-13-23-16-10-8-14(9-11-16)17(21)20-18(24)19-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H2,19,20,21,24)
InChIKeyYIXCZBUWYJWKDP-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.23
Rot. Bonds7

About 4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide

4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide (PubChem CID 17112844) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide
PubChem CID17112844
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide
SMILESCCOCCOc1ccc(C(=O)NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-2-22-12-13-23-16-10-8-14(9-11-16)17(21)20-18(24)19-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H2,19,20,21,24)
InChIKeyYIXCZBUWYJWKDP-UHFFFAOYSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)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-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787
N-[(3-benzamidophenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17235202
4-(2-ethoxyethoxy)-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 17112903
ethyl 4-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzoate
CID 17112872
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-heptoxybenzamide
CID 17130764
N-[(3-bromophenyl)carbamothioyl]-4-(2-ethoxyethoxy)benzamide
CID 17252493
N-(4-anilinophenyl)-2-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17112990
4-(2-ethoxyethoxy)-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17223231
4-(2-ethoxyethoxy)-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide
CID 17194332
4-(2-ethoxyethoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17197853
4-[[4-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N,N-dipropylbenzamide
CID 17196571
N-(4-benzamidophenyl)-4-(2-ethoxyethoxy)benzamide
CID 17235471

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide?
The IUPAC name of 4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide (CID 17112844) is 4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide is CCOCCOc1ccc(C(=O)NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide?
The InChIKey is YIXCZBUWYJWKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-22-12-13-23-16-10-8-14(9-11-16)17(21)20-18(24)19-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H2,19,20,21,24).
What are the key properties of 4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide?
4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-(phenylcarbamothioyl)benzamide is sourced from PubChem (CID 17112844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).