ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate

C17H24N2O4S — CID 1094331

IUPACethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CC)sc(C(=O)NC2CCCC2)c1C
InChIInChI=1S/C17H24N2O4S/c1-4-12(20)19-16-13(17(22)23-5-2)10(3)14(24-16)15(21)18-11-8-6-7-9-11/h11H,4-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyHBXRSSQKPVRHBH-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.25
Rot. Bonds6

About ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate

ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate (PubChem CID 1094331) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
PubChem CID1094331
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Nameethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CC)sc(C(=O)NC2CCCC2)c1C
InChIInChI=1S/C17H24N2O4S/c1-4-12(20)19-16-13(17(22)23-5-2)10(3)14(24-16)15(21)18-11-8-6-7-9-11/h11H,4-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyHBXRSSQKPVRHBH-UHFFFAOYSA-N
XLogP3.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate (CID 1094331) is ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CC)sc(C(=O)NC2CCCC2)c1C.
What is the InChIKey of ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
The InChIKey is HBXRSSQKPVRHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-4-12(20)19-16-13(17(22)23-5-2)10(3)14(24-16)15(21)18-11-8-6-7-9-11/h11H,4-9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate?
ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate has a molecular weight of 352.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopentylcarbamoyl)-4-methyl-2-(propanoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 1094331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).