N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide

C17H15Cl3N2O3S — CID 132591215

IUPACN-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide
SMILESCCOc1cc(C(=O)NC(N)=S)cc(Cl)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl3N2O3S/c1-2-24-14-7-9(16(23)22-17(21)26)6-13(20)15(14)25-8-10-11(18)4-3-5-12(10)19/h3-7H,2,8H2,1H3,(H3,21,22,23,26)
InChIKeyBEKUQOFCJRQOEG-UHFFFAOYSA-N
MW433.74 g/mol
LogP4.60
Rot. Bonds6

About N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide

N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide (PubChem CID 132591215) has the molecular formula C17H15Cl3N2O3S and a molecular weight of 433.74 g/mol. Its IUPAC name is N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide.

Molecular Properties

Compound NameN-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide
PubChem CID132591215
Molecular FormulaC17H15Cl3N2O3S
Molecular Weight433.74 g/mol
Exact Mass431.99
IUPAC NameN-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide
SMILESCCOc1cc(C(=O)NC(N)=S)cc(Cl)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl3N2O3S/c1-2-24-14-7-9(16(23)22-17(21)26)6-13(20)15(14)25-8-10-11(18)4-3-5-12(10)19/h3-7H,2,8H2,1H3,(H3,21,22,23,26)
InChIKeyBEKUQOFCJRQOEG-UHFFFAOYSA-N
XLogP4.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.74
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-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

3-bromo-N-carbamothioyl-4-[(3-chlorophenyl)methoxy]-5-ethoxybenzamide
CID 132591263
N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 132591340
N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide
CID 132591227
3-bromo-N-carbamothioyl-5-ethoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 132591262
3-chloro-5-ethoxy-4-phenylmethoxybenzenecarbothioamide
CID 22685956
2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid
CID 66528811
N-carbamothioyl-3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzamide
CID 132591240
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzenecarbothioamide
CID 22679888
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
CID 91682357
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
3-chloro-N-(3-chloro-2-methylphenyl)-5-ethoxy-4-methoxybenzamide
CID 4557659

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide?
The IUPAC name of N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide (CID 132591215) is N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide.
What is the SMILES notation for N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide?
The canonical SMILES for N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide is CCOc1cc(C(=O)NC(N)=S)cc(Cl)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide?
The InChIKey is BEKUQOFCJRQOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O3S/c1-2-24-14-7-9(16(23)22-17(21)26)6-13(20)15(14)25-8-10-11(18)4-3-5-12(10)19/h3-7H,2,8H2,1H3,(H3,21,22,23,26).
What are the key properties of N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide?
N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide has a molecular weight of 433.74 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide is sourced from PubChem (CID 132591215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).