ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate

C20H24N2O3S — CID 55445563

IUPACethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1CCc2sccc2C1C)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-3-25-20(24)14-22(16-7-5-4-6-8-16)19(23)13-21-11-9-18-17(15(21)2)10-12-26-18/h4-8,10,12,15H,3,9,11,13-14H2,1-2H3
InChIKeyMLJJHYJYDZUUQS-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.26
Rot. Bonds6

About ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate

ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate (PubChem CID 55445563) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate
PubChem CID55445563
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Nameethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)CN1CCc2sccc2C1C)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-3-25-20(24)14-22(16-7-5-4-6-8-16)19(23)13-21-11-9-18-17(15(21)2)10-12-26-18/h4-8,10,12,15H,3,9,11,13-14H2,1-2H3
InChIKeyMLJJHYJYDZUUQS-UHFFFAOYSA-N
XLogP3.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)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-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
CID 8999990
ethyl 2-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
CID 8999987
ethyl 2-(N-[2-(2-thiophen-2-ylpyrrolidin-1-yl)acetyl]anilino)acetate
CID 47014049
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
CID 102555946
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 40809097
ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate
CID 9000827
2-ethoxy-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 63068667
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-phenylpropyl)acetamide
CID 8999972
ethyl 2-(N-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]anilino)acetate
CID 47019495
N-(2-methoxyphenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999892
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 42921673
ethyl 2-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-4-yl]acetate
CID 80574154

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate (CID 55445563) is ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate is CCOC(=O)CN(C(=O)CN1CCc2sccc2C1C)c1ccccc1.
What is the InChIKey of ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate?
The InChIKey is MLJJHYJYDZUUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-25-20(24)14-22(16-7-5-4-6-8-16)19(23)13-21-11-9-18-17(15(21)2)10-12-26-18/h4-8,10,12,15H,3,9,11,13-14H2,1-2H3.
What are the key properties of ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate?
ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate has a molecular weight of 372.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate is sourced from PubChem (CID 55445563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).