N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide

C17H18N2O3S — CID 1226908

IUPACN-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
SMILESCCOc1ccccc1NC(=S)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O3S/c1-3-22-15-7-5-4-6-14(15)18-17(23)19-16(20)12-8-10-13(21-2)11-9-12/h4-11H,3H2,1-2H3,(H2,18,19,20,23)
InChIKeyHJCDFHHBWCZFNM-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.22
Rot. Bonds5

About N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide

N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide (PubChem CID 1226908) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
PubChem CID1226908
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
SMILESCCOc1ccccc1NC(=S)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O3S/c1-3-22-15-7-5-4-6-14(15)18-17(23)19-16(20)12-8-10-13(21-2)11-9-12/h4-11H,3H2,1-2H3,(H2,18,19,20,23)
InChIKeyHJCDFHHBWCZFNM-UHFFFAOYSA-N
XLogP3.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide 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-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913
4-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074352
N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxybenzamide
CID 4950954
3,4,5-triethoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1048249
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide
CID 13003888
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099525
4-hexoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131060
3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 17139907
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1242400
N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131025

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide (CID 1226908) is N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide is CCOc1ccccc1NC(=S)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide?
The InChIKey is HJCDFHHBWCZFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-22-15-7-5-4-6-14(15)18-17(23)19-16(20)12-8-10-13(21-2)11-9-12/h4-11H,3H2,1-2H3,(H2,18,19,20,23).
What are the key properties of N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide?
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide has a molecular weight of 330.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide is sourced from PubChem (CID 1226908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).