N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide

C15H22N2O2S — CID 5208204

IUPACN-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide
SMILESCCN(CC)C(=S)NC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C15H22N2O2S/c1-5-17(6-2)15(20)16-14(18)10-19-13-9-11(3)7-8-12(13)4/h7-9H,5-6,10H2,1-4H3,(H,16,18,20)
InChIKeyWMWVVWVNFQZDEA-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.43
Rot. Bonds5

About N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide

N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 5208204) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide
PubChem CID5208204
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide
SMILESCCN(CC)C(=S)NC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C15H22N2O2S/c1-5-17(6-2)15(20)16-14(18)10-19-13-9-11(3)7-8-12(13)4/h7-9H,5-6,10H2,1-4H3,(H,16,18,20)
InChIKeyWMWVVWVNFQZDEA-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide
CID 4634190
2-(2,5-dimethylphenoxy)-N,N-diethylacetamide
CID 920931
N-[(carbamothioylamino)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3462202
2-(2,5-dimethylphenoxy)-N-[(2,4-dimethylphenyl)carbamothioyl]acetamide
CID 916665
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
2-(2,5-dimethylphenoxy)-N-[(4-fluorophenyl)carbamothioyl]acetamide
CID 916660
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 1188241
2-(2,5-dimethylphenoxy)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]acetamide
CID 3462212
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
2-(2,5-dimethylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031567

Frequently Asked Questions

What is the IUPAC name of N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide (CID 5208204) is N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide is CCN(CC)C(=S)NC(=O)COc1cc(C)ccc1C.
What is the InChIKey of N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is WMWVVWVNFQZDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-17(6-2)15(20)16-14(18)10-19-13-9-11(3)7-8-12(13)4/h7-9H,5-6,10H2,1-4H3,(H,16,18,20).
What are the key properties of N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide?
N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylcarbamothioyl)-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 5208204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).