2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide

C16H15IN2O2S — CID 4926674

IUPAC2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1ccc(I)cc1
InChIInChI=1S/C16H15IN2O2S/c1-2-21-14-6-4-3-5-13(14)15(20)19-16(22)18-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H2,18,19,20,22)
InChIKeyRNRVRGNLUXLULF-UHFFFAOYSA-N
MW426.28 g/mol
LogP3.82
Rot. Bonds4

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

2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide (PubChem CID 4926674) has the molecular formula C16H15IN2O2S and a molecular weight of 426.28 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide
PubChem CID4926674
Molecular FormulaC16H15IN2O2S
Molecular Weight426.28 g/mol
Exact Mass425.99
IUPAC Name2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1ccc(I)cc1
InChIInChI=1S/C16H15IN2O2S/c1-2-21-14-6-4-3-5-13(14)15(20)19-16(22)18-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H2,18,19,20,22)
InChIKeyRNRVRGNLUXLULF-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-[(4-iodophenyl)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-[(4-anilinophenyl)carbamothioyl]-2-ethoxybenzamide
CID 4926669
N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 17202756
N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
CID 17251773
N-[(4-iodophenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954562
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926667
2-ethoxy-N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17130749
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide
CID 17235160
N-[(4-methoxyphenyl)carbamothioyl]-2-propoxybenzamide
CID 4948583
2-(2-ethoxyethoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123092
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
N-[(4-bromophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355891

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide (CID 4926674) is 2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide is CCOc1ccccc1C(=O)NC(=S)Nc1ccc(I)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide?
The InChIKey is RNRVRGNLUXLULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O2S/c1-2-21-14-6-4-3-5-13(14)15(20)19-16(22)18-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H2,18,19,20,22).
What are the key properties of 2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide?
2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide has a molecular weight of 426.28 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4926674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).