N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide

C14H20N2O2S — CID 4634190

IUPACN-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide
SMILESCCN(CC)C(=S)NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-16(5-2)14(19)15-13(17)10-18-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,15,17,19)
InChIKeyBVAPBPBHLQNSRH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.12
Rot. Bonds5

About N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide

N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide (PubChem CID 4634190) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide
PubChem CID4634190
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide
SMILESCCN(CC)C(=S)NC(=O)COc1ccc(C)cc1
InChIInChI=1S/C14H20N2O2S/c1-4-16(5-2)14(19)15-13(17)10-18-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,15,17,19)
InChIKeyBVAPBPBHLQNSRH-UHFFFAOYSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.12
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-(2,5-dimethylphenoxy)acetamide
CID 5208204
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 11020991
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
CID 922748
N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide
CID 3320156
N-(heptylcarbamothioyl)-2-(4-methylphenoxy)acetamide
CID 4634200
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
CID 7817259
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-ethyl-2-(4-methylphenoxy)-N-(2-methylprop-2-enyl)acetamide
CID 78762140
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659061

Frequently Asked Questions

What is the IUPAC name of N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide (CID 4634190) is N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide is CCN(CC)C(=S)NC(=O)COc1ccc(C)cc1.
What is the InChIKey of N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is BVAPBPBHLQNSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-16(5-2)14(19)15-13(17)10-18-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,15,17,19).
What are the key properties of N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide?
N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylcarbamothioyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 4634190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).