Skip to content

Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

C24H30N4O5S — CID 3211277

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C24H30N4O5S/c1-2-33-21(30)16-28(20(29)15-26-23(31)19-11-7-13-34-19)22(17-8-6-12-25-14-17)24(32)27-18-9-4-3-5-10-18/h6-8,11-14,18,22H,2-5,9-10,15-16H2,1H3,(H,26,31)(H,27,32)
InChIKeyKLJVBWUJTDNDMS-UHFFFAOYSA-N
MW486.59 g/mol
LogP2.45
Rot. Bonds10

About Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (PubChem CID 3211277) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound NameEthyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
PubChem CID3211277
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Nameethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C24H30N4O5S/c1-2-33-21(30)16-28(20(29)15-26-23(31)19-11-7-13-34-19)22(17-8-6-12-25-14-17)24(32)27-18-9-4-3-5-10-18/h6-8,11-14,18,22H,2-5,9-10,15-16H2,1H3,(H,26,31)(H,27,32)
InChIKeyKLJVBWUJTDNDMS-UHFFFAOYSA-N
XLogP2.45
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (CID 3211277) is ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is KLJVBWUJTDNDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-2-33-21(30)16-28(20(29)15-26-23(31)19-11-7-13-34-19)22(17-8-6-12-25-14-17)24(32)27-18-9-4-3-5-10-18/h6-8,11-14,18,22H,2-5,9-10,15-16H2,1H3,(H,26,31)(H,27,32).
What are the key properties of Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 486.59 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 3211277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.