N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide

C14H20N2O3S — CID 104517341

IUPACN-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide
SMILESCCN(C(=O)C1CCCCS1(=O)=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O3S/c1-2-16(12-8-6-11(15)7-9-12)14(17)13-5-3-4-10-20(13,18)19/h6-9,13H,2-5,10,15H2,1H3
InChIKeyUVPWFFASZGAHMY-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.59
Rot. Bonds3

About N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide

N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide (PubChem CID 104517341) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide
PubChem CID104517341
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide
SMILESCCN(C(=O)C1CCCCS1(=O)=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O3S/c1-2-16(12-8-6-11(15)7-9-12)14(17)13-5-3-4-10-20(13,18)19/h6-9,13H,2-5,10,15H2,1H3
InChIKeyUVPWFFASZGAHMY-UHFFFAOYSA-N
XLogP1.59
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide 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-(4-aminophenyl)-1,1-dioxothiane-2-carboxamide
CID 113421791
1-(4-aminophenyl)-3-cyclopropyl-1-ethylurea
CID 63233875
N-[2-(4-aminophenyl)ethyl]-1,1-dioxothiane-2-carboxamide
CID 104517302
N-[4-(aminomethyl)phenyl]-N-ethylcyclooctanecarboxamide
CID 65019275
N-(4-aminophenyl)-N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65156880
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-1,1-dioxothiane-2-carboxamide
CID 104520788
N-(4-aminophenyl)-2-[cyclohexyl(ethyl)amino]-N-methylacetamide
CID 43375625
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
methyl 4-[cyclopentanecarbonyl(ethyl)amino]benzoate
CID 66998977
(2R)-N-ethyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 103794860

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide (CID 104517341) is N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide is CCN(C(=O)C1CCCCS1(=O)=O)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide?
The InChIKey is UVPWFFASZGAHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-16(12-8-6-11(15)7-9-12)14(17)13-5-3-4-10-20(13,18)19/h6-9,13H,2-5,10,15H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide?
N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-ethyl-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 104517341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).