2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide

C16H14Cl2N2OS — CID 1342825

IUPAC2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide
SMILESCc1cccc(C)c1NC(=S)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2OS/c1-9-4-3-5-10(2)14(9)19-16(22)20-15(21)12-7-6-11(17)8-13(12)18/h3-8H,1-2H3,(H2,19,20,21,22)
InChIKeyKJKUUEMBYPOJSG-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.74
Rot. Bonds2

About 2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide

2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide (PubChem CID 1342825) has the molecular formula C16H14Cl2N2OS and a molecular weight of 353.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide
PubChem CID1342825
Molecular FormulaC16H14Cl2N2OS
Molecular Weight353.27 g/mol
Exact Mass352.02
IUPAC Name2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide
SMILESCc1cccc(C)c1NC(=S)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2OS/c1-9-4-3-5-10(2)14(9)19-16(22)20-15(21)12-7-6-11(17)8-13(12)18/h3-8H,1-2H3,(H2,19,20,21,22)
InChIKeyKJKUUEMBYPOJSG-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4934093
2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939146
2,4-dichloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 779360
2,4-dichloro-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 46761537
N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 23100463
2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17169954
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 2134804
N-[(2,6-dimethylphenyl)carbamothioyl]-2-methylpropanamide
CID 4928043
2,4-dichloro-N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27788350
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-methylbenzamide
CID 886248
2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 1226903

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide (CID 1342825) is 2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide is Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide?
The InChIKey is KJKUUEMBYPOJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2OS/c1-9-4-3-5-10(2)14(9)19-16(22)20-15(21)12-7-6-11(17)8-13(12)18/h3-8H,1-2H3,(H2,19,20,21,22).
What are the key properties of 2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide?
2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide has a molecular weight of 353.27 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1342825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).