ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate

C17H17NO3S — CID 2348924

IUPACethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1
InChIInChI=1S/C17H17NO3S/c1-2-21-17(20)11-6-8-13(9-7-11)18-16(19)15-10-12-4-3-5-14(12)22-15/h6-10H,2-5H2,1H3,(H,18,19)
InChIKeyZVJQBRXUVCZMRE-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.67
Rot. Bonds4

About ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate

ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate (PubChem CID 2348924) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate
PubChem CID2348924
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Nameethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1
InChIInChI=1S/C17H17NO3S/c1-2-21-17(20)11-6-8-13(9-7-11)18-16(19)15-10-12-4-3-5-14(12)22-15/h6-10H,2-5H2,1H3,(H,18,19)
InChIKeyZVJQBRXUVCZMRE-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate?
The IUPAC name of ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate (CID 2348924) is ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate?
The canonical SMILES for ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate is CCOC(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1.
What is the InChIKey of ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate?
The InChIKey is ZVJQBRXUVCZMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-2-21-17(20)11-6-8-13(9-7-11)18-16(19)15-10-12-4-3-5-14(12)22-15/h6-10H,2-5H2,1H3,(H,18,19).
What are the key properties of ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate?
ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate has a molecular weight of 315.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 2348924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).