N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide

C16H14Cl2N2OS — CID 54786198

IUPACN-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2OS/c1-10-5-2-3-6-11(10)9-14(21)19-16(22)20-15-12(17)7-4-8-13(15)18/h2-8H,9H2,1H3,(H2,19,20,21,22)
InChIKeyIZQWQRKSUKIZAR-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.36
Rot. Bonds3

About N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide

N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide (PubChem CID 54786198) has the molecular formula C16H14Cl2N2OS and a molecular weight of 353.27 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
PubChem CID54786198
Molecular FormulaC16H14Cl2N2OS
Molecular Weight353.27 g/mol
Exact Mass352.02
IUPAC NameN-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14Cl2N2OS/c1-10-5-2-3-6-11(10)9-14(21)19-16(22)20-15-12(17)7-4-8-13(15)18/h2-8H,9H2,1H3,(H2,19,20,21,22)
InChIKeyIZQWQRKSUKIZAR-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.36
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-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 26163745
N-(2,6-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 60695302
N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
CID 26163737
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide
CID 26164125
methyl 4-[(2,6-dichlorophenyl)carbamothioylamino]-4-oxobutanoate
CID 54785946
N-[(2,6-dichlorophenyl)carbamothioyl]acetamide
CID 12952276
N-(3-chloro-2-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 30929902
N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164210
4-tert-butyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]benzamide
CID 26164219
3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-N-propan-2-ylbenzamide
CID 26164149
N,N-diethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164133

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide (CID 54786198) is N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC(=S)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide?
The InChIKey is IZQWQRKSUKIZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2OS/c1-10-5-2-3-6-11(10)9-14(21)19-16(22)20-15-12(17)7-4-8-13(15)18/h2-8H,9H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide?
N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide has a molecular weight of 353.27 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 54786198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).