cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C28H30N4O4S — CID 57390804

IUPACcyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESO=C(Cc1ccccn1)Nc1sc2c(c1C(=O)OC1CCCC1)CCN(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C28H30N4O4S/c33-24(16-20-10-6-7-14-29-20)31-26-25(27(34)36-21-11-4-5-12-21)22-13-15-32(18-23(22)37-26)28(35)30-17-19-8-2-1-3-9-19/h1-3,6-10,14,21H,4-5,11-13,15-18H2,(H,30,35)(H,31,33)
InChIKeyUDYGITTWONHKMZ-UHFFFAOYSA-N
MW518.64 g/mol
LogP4.69
Rot. Bonds7

About cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 57390804) has the molecular formula C28H30N4O4S and a molecular weight of 518.64 g/mol. Its IUPAC name is cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID57390804
Molecular FormulaC28H30N4O4S
Molecular Weight518.64 g/mol
Exact Mass518.20
IUPAC Namecyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESO=C(Cc1ccccn1)Nc1sc2c(c1C(=O)OC1CCCC1)CCN(C(=O)NCc1ccccc1)C2
InChIInChI=1S/C28H30N4O4S/c33-24(16-20-10-6-7-14-29-20)31-26-25(27(34)36-21-11-4-5-12-21)22-13-15-32(18-23(22)37-26)28(35)30-17-19-8-2-1-3-9-19/h1-3,6-10,14,21H,4-5,11-13,15-18H2,(H,30,35)(H,31,33)
InChIKeyUDYGITTWONHKMZ-UHFFFAOYSA-N
XLogP4.69
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 57390804) is cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is O=C(Cc1ccccn1)Nc1sc2c(c1C(=O)OC1CCCC1)CCN(C(=O)NCc1ccccc1)C2.
What is the InChIKey of cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is UDYGITTWONHKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4S/c33-24(16-20-10-6-7-14-29-20)31-26-25(27(34)36-21-11-4-5-12-21)22-13-15-32(18-23(22)37-26)28(35)30-17-19-8-2-1-3-9-19/h1-3,6-10,14,21H,4-5,11-13,15-18H2,(H,30,35)(H,31,33).
What are the key properties of cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 518.64 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 6-(benzylcarbamoyl)-2-[(2-pyridin-2-ylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 57390804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).