ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

C23H28N4O5S — CID 3211117

IUPACethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C23H28N4O5S/c1-2-32-20(29)15-27(19(28)14-25-22(30)18-8-5-13-33-18)21(16-9-11-24-12-10-16)23(31)26-17-6-3-4-7-17/h5,8-13,17,21H,2-4,6-7,14-15H2,1H3,(H,25,30)(H,26,31)
InChIKeyKYESUHNIVMEKOB-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.06
Rot. Bonds10

About ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (PubChem CID 3211117) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
PubChem CID3211117
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Nameethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C23H28N4O5S/c1-2-32-20(29)15-27(19(28)14-25-22(30)18-8-5-13-33-18)21(16-9-11-24-12-10-16)23(31)26-17-6-3-4-7-17/h5,8-13,17,21H,2-4,6-7,14-15H2,1H3,(H,25,30)(H,26,31)
InChIKeyKYESUHNIVMEKOB-UHFFFAOYSA-N
XLogP2.06
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (CID 3211117) is ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccncc1.
What is the InChIKey of ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is KYESUHNIVMEKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-2-32-20(29)15-27(19(28)14-25-22(30)18-8-5-13-33-18)21(16-9-11-24-12-10-16)23(31)26-17-6-3-4-7-17/h5,8-13,17,21H,2-4,6-7,14-15H2,1H3,(H,25,30)(H,26,31).
What are the key properties of ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 472.57 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 3211117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).