N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide

C23H21N3O3S — CID 17235160

IUPACN-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H21N3O3S/c1-2-29-20-14-7-6-13-19(20)22(28)26-23(30)25-18-12-8-11-17(15-18)24-21(27)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,24,27)(H2,25,26,28,30)
InChIKeyNXHIYJSDADKFSA-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.46
Rot. Bonds6

About N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide

N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide (PubChem CID 17235160) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide
PubChem CID17235160
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C23H21N3O3S/c1-2-29-20-14-7-6-13-19(20)22(28)26-23(30)25-18-12-8-11-17(15-18)24-21(27)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,24,27)(H2,25,26,28,30)
InChIKeyNXHIYJSDADKFSA-UHFFFAOYSA-N
XLogP4.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide 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

2-ethoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17197719
2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154886
N-[(4-anilinophenyl)carbamothioyl]-2-ethoxybenzamide
CID 4926669
N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 26162627
N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17098406
N-[(3-benzamidophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 22780287
N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 26159832
2-ethoxy-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide
CID 4927060
2-butoxy-N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 26159800
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
CID 17251773
2-ethoxy-N-[(4-iodophenyl)carbamothioyl]benzamide
CID 4926674

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide?
The IUPAC name of N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide (CID 17235160) is N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide?
The canonical SMILES for N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide?
The InChIKey is NXHIYJSDADKFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-2-29-20-14-7-6-13-19(20)22(28)26-23(30)25-18-12-8-11-17(15-18)24-21(27)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,24,27)(H2,25,26,28,30).
What are the key properties of N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide?
N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide has a molecular weight of 419.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzamidophenyl)carbamothioyl]-2-ethoxybenzamide is sourced from PubChem (CID 17235160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).