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

C17H24N2OS — CID 54786405

IUPAC2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
SMILESCc1cc(C)c(NC(=S)NC(=O)CC2CCCC2)c(C)c1
InChIInChI=1S/C17H24N2OS/c1-11-8-12(2)16(13(3)9-11)19-17(21)18-15(20)10-14-6-4-5-7-14/h8-9,14H,4-7,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyAZAZBHUNEOZCET-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.01
Rot. Bonds3

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

2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide (PubChem CID 54786405) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
PubChem CID54786405
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
SMILESCc1cc(C)c(NC(=S)NC(=O)CC2CCCC2)c(C)c1
InChIInChI=1S/C17H24N2OS/c1-11-8-12(2)16(13(3)9-11)19-17(21)18-15(20)10-14-6-4-5-7-14/h8-9,14H,4-7,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyAZAZBHUNEOZCET-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.01
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-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide
CID 54786283
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide
CID 54786588
2-[(1R,3S)-3-acetyl-2,2-dimethylcyclobutyl]-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 40560348
2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
CID 54786307
2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110858213
N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide
CID 103714250
2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 26163745
2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 54786425
1,3-bis(2,4,6-trimethylphenyl)thiourea
CID 2307469
N-[4-chloro-3-[(2-cyclopentylacetyl)carbamothioylamino]phenyl]butanamide
CID 54786752
1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108888511
2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110419575

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide (CID 54786405) is 2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide is Cc1cc(C)c(NC(=S)NC(=O)CC2CCCC2)c(C)c1.
What is the InChIKey of 2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
The InChIKey is AZAZBHUNEOZCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-11-8-12(2)16(13(3)9-11)19-17(21)18-15(20)10-14-6-4-5-7-14/h8-9,14H,4-7,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide?
2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide has a molecular weight of 304.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 54786405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).