[2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate

C19H20N2O2S2 — CID 2915941

IUPAC[2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H20N2O2S2/c1-3-21(4-2)19(24)25-12-18(22)20-13-9-10-15-14-7-5-6-8-16(14)23-17(15)11-13/h5-11H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyKWGGGBDFCOJRNZ-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.88
Rot. Bonds5

About [2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate

[2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate (PubChem CID 2915941) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is [2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name[2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate
PubChem CID2915941
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC Name[2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCC(=O)Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H20N2O2S2/c1-3-21(4-2)19(24)25-12-18(22)20-13-9-10-15-14-7-5-6-8-16(14)23-17(15)11-13/h5-11H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyKWGGGBDFCOJRNZ-UHFFFAOYSA-N
XLogP4.88
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 7841495
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 7841301
[2-(4-acetylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2289708
N-dibenzofuran-3-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55685179
N-dibenzofuran-3-yl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2943904
phenyl N-[2-(dibenzofuran-3-ylamino)-2-oxoethyl]-N-methylcarbamate
CID 126004369
[2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2842840
N-dibenzofuran-3-yl-2,2-dimethylpropanamide
CID 15495610
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
N-(dibenzofuran-3-ylcarbamothioyl)-2-methylpropanamide
CID 17099643
N-dibenzofuran-3-yl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 38113570
N-dibenzofuran-3-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2961461

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate?
The IUPAC name of [2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate (CID 2915941) is [2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate.
What is the SMILES notation for [2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate?
The canonical SMILES for [2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate is CCN(CC)C(=S)SCC(=O)Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of [2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate?
The InChIKey is KWGGGBDFCOJRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-3-21(4-2)19(24)25-12-18(22)20-13-9-10-15-14-7-5-6-8-16(14)23-17(15)11-13/h5-11H,3-4,12H2,1-2H3,(H,20,22).
What are the key properties of [2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate?
[2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate has a molecular weight of 372.52 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzofuran-3-ylamino)-2-oxoethyl] N,N-diethylcarbamodithioate is sourced from PubChem (CID 2915941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).