2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide

C14H20N2O3S — CID 104926644

IUPAC2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CCS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H20N2O3S/c1-3-16(2)14(17)10-15-12-8-9-20(18,19)13-7-5-4-6-11(12)13/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyHSJXDQBRSRHNCT-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.97
Rot. Bonds4

About 2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide

2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide (PubChem CID 104926644) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide
PubChem CID104926644
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNC1CCS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H20N2O3S/c1-3-16(2)14(17)10-15-12-8-9-20(18,19)13-7-5-4-6-11(12)13/h4-7,12,15H,3,8-10H2,1-2H3
InChIKeyHSJXDQBRSRHNCT-UHFFFAOYSA-N
XLogP0.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide with MolForge

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Related Compounds

1-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 113491993
N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]acetamide
CID 51877530
1,1-dioxo-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43755058
1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 43538900
1,1-dioxo-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43761854
N-[(1-ethylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 104924977
2-(3,4-dihydro-1H-isochromen-4-ylamino)-N-ethyl-N-methylacetamide
CID 114132346
N-[(4S)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2,2-dimethylpropanamide
CID 29289858
N-[(1-methylcyclobutyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 104925158
N-(2-methoxypropyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 102696007
N-[(2-fluorophenyl)methyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43763671
N-ethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide
CID 107808804

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide (CID 104926644) is 2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNC1CCS(=O)(=O)c2ccccc21.
What is the InChIKey of 2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is HSJXDQBRSRHNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-16(2)14(17)10-15-12-8-9-20(18,19)13-7-5-4-6-11(12)13/h4-7,12,15H,3,8-10H2,1-2H3.
What are the key properties of 2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide?
2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 296.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104926644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).