[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate

C15H20N2O3S2 — CID 8818577

IUPAC[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCC(=O)NC(=O)c1ccccc1OC
InChIInChI=1S/C15H20N2O3S2/c1-4-17(5-2)15(21)22-10-13(18)16-14(19)11-8-6-7-9-12(11)20-3/h6-9H,4-5,10H2,1-3H3,(H,16,18,19)
InChIKeyFBUMGMRDTAJBRS-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.31
Rot. Bonds6

About [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate (PubChem CID 8818577) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate
PubChem CID8818577
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC Name[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCC(=O)NC(=O)c1ccccc1OC
InChIInChI=1S/C15H20N2O3S2/c1-4-17(5-2)15(21)22-10-13(18)16-14(19)11-8-6-7-9-12(11)20-3/h6-9H,4-5,10H2,1-3H3,(H,16,18,19)
InChIKeyFBUMGMRDTAJBRS-UHFFFAOYSA-N
XLogP2.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[(2-methoxybenzoyl)amino]-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

N-[(hexanoylamino)carbamothioyl]-2-methoxybenzamide
CID 4955656
N-[ethyl(phenylsulfanyl)carbamoyl]-2-methoxybenzamide
CID 22306503
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 9490931
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
[2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2842840
2-methoxybenzohydrazide
CID 24051
2-methoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 46760837
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39415072
N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-2-methoxybenzamide
CID 7878452
N-[[(2-methoxybenzoyl)amino]carbamothioyl]acetamide
CID 4922802
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate?
The IUPAC name of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate (CID 8818577) is [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate.
What is the SMILES notation for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate?
The canonical SMILES for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate is CCN(CC)C(=S)SCC(=O)NC(=O)c1ccccc1OC.
What is the InChIKey of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate?
The InChIKey is FBUMGMRDTAJBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-4-17(5-2)15(21)22-10-13(18)16-14(19)11-8-6-7-9-12(11)20-3/h6-9H,4-5,10H2,1-3H3,(H,16,18,19).
What are the key properties of [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate?
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate has a molecular weight of 340.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate is sourced from PubChem (CID 8818577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).