2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide

C15H22N2O2S — CID 107656260

IUPAC2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(C(N)=S)ccc1C
InChIInChI=1S/C15H22N2O2S/c1-5-15(3,4)17-13(18)9-19-12-8-11(14(16)20)7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H2,16,20)(H,17,18)
InChIKeyWAIOFNWAXJJVCH-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.31
Rot. Bonds6

About 2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide

2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 107656260) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
PubChem CID107656260
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(C(N)=S)ccc1C
InChIInChI=1S/C15H22N2O2S/c1-5-15(3,4)17-13(18)9-19-12-8-11(14(16)20)7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H2,16,20)(H,17,18)
InChIKeyWAIOFNWAXJJVCH-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.31
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

4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60703784
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
2-(5-carbamothioyl-2-methylphenoxy)-N-carbamoylacetamide
CID 107656441
2-(5-carbamothioyl-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 107656503
2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 107656439
4-methyl-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 36578757
2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 107656363
2-(5-carbamothioyl-2-methylphenoxy)-N,N-dimethylacetamide
CID 107656284
2-(5-amino-2-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486316
2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055
2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 80604720
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 104704642

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide (CID 107656260) is 2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1cc(C(N)=S)ccc1C.
What is the InChIKey of 2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is WAIOFNWAXJJVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-15(3,4)17-13(18)9-19-12-8-11(14(16)20)7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H2,16,20)(H,17,18).
What are the key properties of 2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.31, 6 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 107656260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).