ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate

C15H21NO3S — CID 107133035

IUPACethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate
SMILESCCOC(=O)C(Nc1ccccc1OC)C1CCSC1
InChIInChI=1S/C15H21NO3S/c1-3-19-15(17)14(11-8-9-20-10-11)16-12-6-4-5-7-13(12)18-2/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyFSZMJCODRDQOCE-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.79
Rot. Bonds6

About ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate

ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate (PubChem CID 107133035) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate
PubChem CID107133035
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Nameethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate
SMILESCCOC(=O)C(Nc1ccccc1OC)C1CCSC1
InChIInChI=1S/C15H21NO3S/c1-3-19-15(17)14(11-8-9-20-10-11)16-12-6-4-5-7-13(12)18-2/h4-7,11,14,16H,3,8-10H2,1-2H3
InChIKeyFSZMJCODRDQOCE-UHFFFAOYSA-N
XLogP2.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate 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

ethyl 2-(4-methoxyanilino)-2-(thiolan-3-yl)acetate
CID 107133000
ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
CID 61326624
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
2-cyclohexyl-2-(2-methoxyanilino)acetic acid
CID 54890828
ethyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890505
3-(2-methoxyphenoxy)-2-(thiolan-3-yl)propan-1-amine
CID 117237766
2-(2-bromoanilino)-2-(thiolan-3-yl)acetic acid
CID 107133026
(2-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105078522
ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate
CID 107133046
ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate
CID 101189874
2-(2-methoxyphenoxy)-1-(thiolan-3-yl)ethanol
CID 117237270
ethyl 4-amino-3-(2-methoxyanilino)-4-oxobutanoate
CID 66431538

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate?
The IUPAC name of ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate (CID 107133035) is ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate is CCOC(=O)C(Nc1ccccc1OC)C1CCSC1.
What is the InChIKey of ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate?
The InChIKey is FSZMJCODRDQOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-19-15(17)14(11-8-9-20-10-11)16-12-6-4-5-7-13(12)18-2/h4-7,11,14,16H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate?
ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate has a molecular weight of 295.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyanilino)-2-(thiolan-3-yl)acetate is sourced from PubChem (CID 107133035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).