2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide

C14H20N2O3S — CID 24690581

IUPAC2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(C(N)=S)cc1OC
InChIInChI=1S/C14H20N2O3S/c1-4-16(5-2)13(17)9-19-11-7-6-10(14(15)20)8-12(11)18-3/h6-8H,4-5,9H2,1-3H3,(H2,15,20)
InChIKeyJWMAQUYBVOKSPB-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.58
Rot. Bonds7

About 2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide

2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide (PubChem CID 24690581) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide
PubChem CID24690581
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(C(N)=S)cc1OC
InChIInChI=1S/C14H20N2O3S/c1-4-16(5-2)13(17)9-19-11-7-6-10(14(15)20)8-12(11)18-3/h6-8H,4-5,9H2,1-3H3,(H2,15,20)
InChIKeyJWMAQUYBVOKSPB-UHFFFAOYSA-N
XLogP1.58
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioyl-2-fluorophenoxy)-N,N-diethylacetamide
CID 107665931
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
2-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)-2-methoxyphenoxy]-N,N-diethylacetamide
CID 4778501
2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid
CID 879607
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
N,N-diethyl-2-[5-(ethylaminomethyl)-2-methoxyphenoxy]acetamide
CID 43278782
2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide
CID 43268912
4-(3-ethylsulfonylpropoxy)-3-methoxybenzenecarbothioamide
CID 65092857
[2-(diethylamino)-2-oxoethyl] 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 25441337
2-[4-(2,6-diamino-3,5-dicyano-4H-thiopyran-4-yl)-2-methoxyphenoxy]-N,N-diethylacetamide
CID 11838757

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide (CID 24690581) is 2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(C(N)=S)cc1OC.
What is the InChIKey of 2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide?
The InChIKey is JWMAQUYBVOKSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-16(5-2)13(17)9-19-11-7-6-10(14(15)20)8-12(11)18-3/h6-8H,4-5,9H2,1-3H3,(H2,15,20).
What are the key properties of 2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide?
2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide has a molecular weight of 296.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 24690581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).