N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide

C16H14Cl2N2O2S — CID 132591340

IUPACN-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
SMILESCc1ccccc1COc1c(Cl)cc(C(=O)NC(N)=S)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2S/c1-9-4-2-3-5-10(9)8-22-14-12(17)6-11(7-13(14)18)15(21)20-16(19)23/h2-7H,8H2,1H3,(H3,19,20,21,23)
InChIKeyUTRGYECHVREDTA-UHFFFAOYSA-N
MW369.27 g/mol
LogP3.85
Rot. Bonds4

About N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide

N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide (PubChem CID 132591340) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
PubChem CID132591340
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC NameN-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
SMILESCc1ccccc1COc1c(Cl)cc(C(=O)NC(N)=S)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2S/c1-9-4-2-3-5-10(9)8-22-14-12(17)6-11(7-13(14)18)15(21)20-16(19)23/h2-7H,8H2,1H3,(H3,19,20,21,23)
InChIKeyUTRGYECHVREDTA-UHFFFAOYSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 91682780
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid
CID 45400355
N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide
CID 132591215
N-carbamothioyl-3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzamide
CID 132591240
ethyl 3-bromo-5-chloro-4-[(2-methylphenyl)methoxy]benzoate
CID 91685998
N-carbamothioyl-3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxybenzamide
CID 132591227
ethyl 3,5-dichloro-4-[(2-chlorophenyl)methoxy]benzoate
CID 91682734
3,5-dichloro-4-[(2-fluorophenyl)methoxy]benzamide
CID 91682781
3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]benzohydrazide
CID 91685973
(E)-3-[3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 91684969
N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 132591174
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide?
The IUPAC name of N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide (CID 132591340) is N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide is Cc1ccccc1COc1c(Cl)cc(C(=O)NC(N)=S)cc1Cl.
What is the InChIKey of N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide?
The InChIKey is UTRGYECHVREDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c1-9-4-2-3-5-10(9)8-22-14-12(17)6-11(7-13(14)18)15(21)20-16(19)23/h2-7H,8H2,1H3,(H3,19,20,21,23).
What are the key properties of N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide?
N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide has a molecular weight of 369.27 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 132591340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).