N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide

C16H14Cl2N2O2S — CID 1395879

IUPACN-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c(C)c1
InChIInChI=1S/C16H14Cl2N2O2S/c1-8-3-4-11(9(2)5-8)15(22)20-16(23)19-13-7-10(17)6-12(18)14(13)21/h3-7,21H,1-2H3,(H2,19,20,22,23)
InChIKeyYJISUZRALPUMPS-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.44
Rot. Bonds2

About N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide

N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide (PubChem CID 1395879) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
PubChem CID1395879
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC NameN-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c(C)c1
InChIInChI=1S/C16H14Cl2N2O2S/c1-8-3-4-11(9(2)5-8)15(22)20-16(23)19-13-7-10(17)6-12(18)14(13)21/h3-7,21H,1-2H3,(H2,19,20,22,23)
InChIKeyYJISUZRALPUMPS-UHFFFAOYSA-N
XLogP4.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 961010
N-[(2-chloro-5-nitrophenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 3269820
N-[(2-chloro-4-nitrophenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 5197622
N-[(4-chloro-2-nitrophenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 2949905
3-[(2-chloro-4-methylbenzoyl)carbamothioylamino]-4-methylbenzoate
CID 6980492
N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 4094580
N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide
CID 82884847
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 3528413
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 961018
N-[(4-bromo-2-iodophenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 4063907
N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 22776079
4-chloro-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 875189

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide (CID 1395879) is N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c(C)c1.
What is the InChIKey of N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide?
The InChIKey is YJISUZRALPUMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c1-8-3-4-11(9(2)5-8)15(22)20-16(23)19-13-7-10(17)6-12(18)14(13)21/h3-7,21H,1-2H3,(H2,19,20,22,23).
What are the key properties of N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide?
N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide has a molecular weight of 369.27 g/mol, XLogP of 4.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-hydroxyphenyl)carbamothioyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 1395879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).