N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide

C16H14Cl2N2O3S — CID 132591182

IUPACN-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(N)=S)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O3S/c1-22-14-7-10(15(21)20-16(19)24)3-5-13(14)23-8-9-2-4-11(17)12(18)6-9/h2-7H,8H2,1H3,(H3,19,20,21,24)
InChIKeyCHIAGWWENHLAIR-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.55
Rot. Bonds5

About N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide

N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide (PubChem CID 132591182) has the molecular formula C16H14Cl2N2O3S and a molecular weight of 385.27 g/mol. Its IUPAC name is N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
PubChem CID132591182
Molecular FormulaC16H14Cl2N2O3S
Molecular Weight385.27 g/mol
Exact Mass384.01
IUPAC NameN-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(N)=S)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O3S/c1-22-14-7-10(15(21)20-16(19)24)3-5-13(14)23-8-9-2-4-11(17)12(18)6-9/h2-7H,8H2,1H3,(H3,19,20,21,24)
InChIKeyCHIAGWWENHLAIR-UHFFFAOYSA-N
XLogP3.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
N-carbamothioyl-4-[(3-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591188
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683384
N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591186
[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanethione
CID 23961778
4-[(3,4-dichlorophenyl)methoxy]-3-ethoxybenzenecarbothioamide
CID 20988291
3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683383
N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide
CID 132591227
methyl 2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxybenzoate
CID 91689328
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
methyl 4-amino-3-[(3,4-dichlorophenyl)methoxy]benzoate
CID 43380152

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide (CID 132591182) is N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)NC(N)=S)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide?
The InChIKey is CHIAGWWENHLAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3S/c1-22-14-7-10(15(21)20-16(19)24)3-5-13(14)23-8-9-2-4-11(17)12(18)6-9/h2-7H,8H2,1H3,(H3,19,20,21,24).
What are the key properties of N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide?
N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide has a molecular weight of 385.27 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 132591182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).