2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide

C13H16N2O2S — CID 107656439

IUPAC2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide
SMILESCc1ccc(C(N)=S)cc1OCC(=O)NC1CC1
InChIInChI=1S/C13H16N2O2S/c1-8-2-3-9(13(14)18)6-11(8)17-7-12(16)15-10-4-5-10/h2-3,6,10H,4-5,7H2,1H3,(H2,14,18)(H,15,16)
InChIKeyGJUSGTINJOMSJO-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.29
Rot. Bonds5

About 2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide

2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide (PubChem CID 107656439) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide
PubChem CID107656439
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide
SMILESCc1ccc(C(N)=S)cc1OCC(=O)NC1CC1
InChIInChI=1S/C13H16N2O2S/c1-8-2-3-9(13(14)18)6-11(8)17-7-12(16)15-10-4-5-10/h2-3,6,10H,4-5,7H2,1H3,(H2,14,18)(H,15,16)
InChIKeyGJUSGTINJOMSJO-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.29
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

N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 107656363
2-(5-carbamothioyl-2-methylphenoxy)-N-carbamoylacetamide
CID 107656441
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107656260
2-(5-carbamothioyl-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 107656503
2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 113231478
2-(4-bromo-2-carbamothioylphenoxy)-N-cyclopropylacetamide
CID 83144814
2-(5-carbamothioyl-2-methylphenoxy)-N,N-dimethylacetamide
CID 107656284
N-(4-aminocyclohexyl)-2-(2,4-dimethylphenoxy)acetamide
CID 119477487
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethylphenoxy)acetamide
CID 119611347

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide?
The IUPAC name of 2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide (CID 107656439) is 2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide?
The canonical SMILES for 2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide is Cc1ccc(C(N)=S)cc1OCC(=O)NC1CC1.
What is the InChIKey of 2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide?
The InChIKey is GJUSGTINJOMSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8-2-3-9(13(14)18)6-11(8)17-7-12(16)15-10-4-5-10/h2-3,6,10H,4-5,7H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of 2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide?
2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide has a molecular weight of 264.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide is sourced from PubChem (CID 107656439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).