2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide

C19H22N2OS — CID 26163745

IUPAC2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
SMILESCc1cc(C)c(NC(=S)NC(=O)Cc2ccccc2C)c(C)c1
InChIInChI=1S/C19H22N2OS/c1-12-9-14(3)18(15(4)10-12)21-19(23)20-17(22)11-16-8-6-5-7-13(16)2/h5-10H,11H2,1-4H3,(H2,20,21,22,23)
InChIKeyDMYBHOLVHAGNPM-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.98
Rot. Bonds3

About 2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide

2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide (PubChem CID 26163745) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
PubChem CID26163745
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
SMILESCc1cc(C)c(NC(=S)NC(=O)Cc2ccccc2C)c(C)c1
InChIInChI=1S/C19H22N2OS/c1-12-9-14(3)18(15(4)10-12)21-19(23)20-17(22)11-16-8-6-5-7-13(16)2/h5-10H,11H2,1-4H3,(H2,20,21,22,23)
InChIKeyDMYBHOLVHAGNPM-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.98
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

N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
CID 54786198
2-[(2-methylphenyl)methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 108996565
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
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998293
2-(4-methoxyphenoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 5162446
N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164210
N-benzyl-N-methyl-2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26163913
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 2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide (CID 26163745) is 2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide is Cc1cc(C)c(NC(=S)NC(=O)Cc2ccccc2C)c(C)c1.
What is the InChIKey of 2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
The InChIKey is DMYBHOLVHAGNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-12-9-14(3)18(15(4)10-12)21-19(23)20-17(22)11-16-8-6-5-7-13(16)2/h5-10H,11H2,1-4H3,(H2,20,21,22,23).
What are the key properties of 2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide has a molecular weight of 326.47 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 26163745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).