2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide

C17H23F2N3OS — CID 2462702

IUPAC2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=S)NC1CCCCC1
InChIInChI=1S/C17H23F2N3OS/c1-2-22(17(24)20-12-7-4-3-5-8-12)11-15(23)21-16-13(18)9-6-10-14(16)19/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyAFYLNHCNKROTDY-UHFFFAOYSA-N
MW355.45 g/mol
LogP3.43
Rot. Bonds5

About 2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide

2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 2462702) has the molecular formula C17H23F2N3OS and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
PubChem CID2462702
Molecular FormulaC17H23F2N3OS
Molecular Weight355.45 g/mol
Exact Mass355.15
IUPAC Name2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=S)NC1CCCCC1
InChIInChI=1S/C17H23F2N3OS/c1-2-22(17(24)20-12-7-4-3-5-8-12)11-15(23)21-16-13(18)9-6-10-14(16)19/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyAFYLNHCNKROTDY-UHFFFAOYSA-N
XLogP3.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.43
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

1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
1-cyclooctyl-3-(2,6-difluorophenyl)thiourea
CID 100663552
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
N-cyclohexyl-2-(2,6-difluoroanilino)acetamide
CID 28879040
1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119266618
tert-butyl (3S)-3-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate
CID 38370609
N-cyclopentyl-2-(2,6-difluoroanilino)acetamide
CID 28879037
3-cyclopentyl-1,1-diethylthiourea
CID 19652948
1-benzyl-3-cyclohexyl-1-ethylthiourea
CID 5098448
1-cyclohexyl-3-(2-fluoro-6-methylphenyl)thiourea
CID 116510369
2-N-cyclohexyl-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132549
2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 38369368

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide (CID 2462702) is 2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=S)NC1CCCCC1.
What is the InChIKey of 2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is AFYLNHCNKROTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3OS/c1-2-22(17(24)20-12-7-4-3-5-8-12)11-15(23)21-16-13(18)9-6-10-14(16)19/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide?
2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 355.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 2462702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).