2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide

C15H20N2O2S — CID 64688246

IUPAC2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide
SMILESCC1(NC(=O)COc2ccc(C(N)=S)cc2)CCCC1
InChIInChI=1S/C15H20N2O2S/c1-15(8-2-3-9-15)17-13(18)10-19-12-6-4-11(5-7-12)14(16)20/h4-7H,2-3,8-10H2,1H3,(H2,16,20)(H,17,18)
InChIKeyWXDRKNBLKFLBLW-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide

2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide (PubChem CID 64688246) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide
PubChem CID64688246
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide
SMILESCC1(NC(=O)COc2ccc(C(N)=S)cc2)CCCC1
InChIInChI=1S/C15H20N2O2S/c1-15(8-2-3-9-15)17-13(18)10-19-12-6-4-11(5-7-12)14(16)20/h4-7H,2-3,8-10H2,1H3,(H2,16,20)(H,17,18)
InChIKeyWXDRKNBLKFLBLW-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioylphenoxy)-N-[(2-methylthiolan-2-yl)methyl]acetamide
CID 80743214
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
CID 61118939
2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-3-methylbutanamide
CID 106345607
methyl 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]acetate
CID 24690991
4-[2-(4,4-dimethylpiperidin-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 62931802
N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
CID 61118930
2-[[2-(4-carbamothioylphenoxy)acetyl]amino]-N-ethylacetamide
CID 43567092
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
CID 28547111
1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78881239
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917
2-(4-carbamothioylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106217451
2-(4-carbamothioylphenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 80714915

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide (CID 64688246) is 2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide is CC1(NC(=O)COc2ccc(C(N)=S)cc2)CCCC1.
What is the InChIKey of 2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide?
The InChIKey is WXDRKNBLKFLBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-15(8-2-3-9-15)17-13(18)10-19-12-6-4-11(5-7-12)14(16)20/h4-7H,2-3,8-10H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide?
2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenoxy)-N-(1-methylcyclopentyl)acetamide is sourced from PubChem (CID 64688246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).