ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate

C23H26N2O4S — CID 56527911

IUPACethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCc2cccc(OC3CCCC3)c2)c(C#N)c1C
InChIInChI=1S/C23H26N2O4S/c1-3-28-23(27)21-15(2)19(14-24)22(30-21)25-20(26)12-11-16-7-6-10-18(13-16)29-17-8-4-5-9-17/h6-7,10,13,17H,3-5,8-9,11-12H2,1-2H3,(H,25,26)
InChIKeyLKAMTPPJVMGAEU-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.00
Rot. Bonds8

About ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate

ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate (PubChem CID 56527911) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate
PubChem CID56527911
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Nameethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCc2cccc(OC3CCCC3)c2)c(C#N)c1C
InChIInChI=1S/C23H26N2O4S/c1-3-28-23(27)21-15(2)19(14-24)22(30-21)25-20(26)12-11-16-7-6-10-18(13-16)29-17-8-4-5-9-17/h6-7,10,13,17H,3-5,8-9,11-12H2,1-2H3,(H,25,26)
InChIKeyLKAMTPPJVMGAEU-UHFFFAOYSA-N
XLogP5.00
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate 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-(2-amino-2-ethylbutyl)-3-(3-cyclopentyloxyphenyl)propanamide
CID 119643365
ethyl 4-cyano-3-methyl-5-[(2-thiophen-2-ylacetyl)amino]thiophene-2-carboxylate
CID 41340120
ethyl 4-cyano-3-methyl-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-2-carboxylate
CID 23774614
ethyl 5-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 1191383
ethyl 4-cyano-3-methyl-5-(3-thiophen-2-ylprop-2-enoylamino)thiophene-2-carboxylate
CID 5220671
ethyl 4-cyano-5-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16848206
ethyl 4-cyano-3-methyl-5-[(2-methylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 123304418
3-(3-cyclopentyloxyphenyl)-N-[2-(ethylamino)ethyl]propanamide
CID 119508902
ethyl 4-cyano-3-methyl-5-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate
CID 16838066
ethyl 5-[[2-(1-adamantyl)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 2960383
(2R)-2-cyano-5-(3-cyclopentyloxyphenyl)-N-methyl-3-oxopentanamide
CID 95352740
N-(6-amino-3-pyridinyl)-3-(3-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119516351

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate (CID 56527911) is ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)CCc2cccc(OC3CCCC3)c2)c(C#N)c1C.
What is the InChIKey of ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate?
The InChIKey is LKAMTPPJVMGAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-3-28-23(27)21-15(2)19(14-24)22(30-21)25-20(26)12-11-16-7-6-10-18(13-16)29-17-8-4-5-9-17/h6-7,10,13,17H,3-5,8-9,11-12H2,1-2H3,(H,25,26).
What are the key properties of ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate?
ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate has a molecular weight of 426.54 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyano-5-[3-(3-cyclopentyloxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 56527911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).