2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide

C14H20N2O3S — CID 65471730

IUPAC2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(C)cc(C(N)=S)cc1C
InChIInChI=1S/C14H20N2O3S/c1-9-6-11(14(15)20)7-10(2)13(9)19-8-12(17)16-4-5-18-3/h6-7H,4-5,8H2,1-3H3,(H2,15,20)(H,16,17)
InChIKeyHQFAJGBYFCYDLB-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.08
Rot. Bonds7

About 2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide

2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 65471730) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID65471730
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1c(C)cc(C(N)=S)cc1C
InChIInChI=1S/C14H20N2O3S/c1-9-6-11(14(15)20)7-10(2)13(9)19-8-12(17)16-4-5-18-3/h6-7H,4-5,8H2,1-3H3,(H2,15,20)(H,16,17)
InChIKeyHQFAJGBYFCYDLB-UHFFFAOYSA-N
XLogP1.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485623
2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 62098346
2-(3-carbamothioylphenoxy)-N-(2-methoxyethyl)acetamide
CID 54956323
ethyl 2-(4-carbamothioyl-2,6-dimethylphenoxy)acetate
CID 65470204
2-(3-carbamothioyl-5-methoxyphenoxy)-N-(3-methylbutyl)acetamide
CID 103567236
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
4-[2-(2-cyanoethylamino)-2-oxoethoxy]-3,5-dimethylbenzoic acid
CID 28932954
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 119548920
2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81421514
3-chloro-5-methoxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
CID 61487582
4-(3-fluoropropoxy)-3,5-dimethylbenzenecarbothioamide
CID 81105439
N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide
CID 62309444

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide (CID 65471730) is 2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1c(C)cc(C(N)=S)cc1C.
What is the InChIKey of 2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is HQFAJGBYFCYDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-6-11(14(15)20)7-10(2)13(9)19-8-12(17)16-4-5-18-3/h6-7H,4-5,8H2,1-3H3,(H2,15,20)(H,16,17).
What are the key properties of 2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioyl-2,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 65471730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).