N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide

C20H15ClN2O2S — CID 56971355

IUPACN-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc3c(s2)C(=O)CC3c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C20H15ClN2O2S/c1-11(24)23-19-8-13(6-7-22-19)18-10-16-15(9-17(25)20(16)26-18)12-2-4-14(21)5-3-12/h2-8,10,15H,9H2,1H3,(H,22,23,24)
InChIKeyOQUJWJFMGGZRHZ-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.14
Rot. Bonds3

About N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide

N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide (PubChem CID 56971355) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide
PubChem CID56971355
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC NameN-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc3c(s2)C(=O)CC3c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C20H15ClN2O2S/c1-11(24)23-19-8-13(6-7-22-19)18-10-16-15(9-17(25)20(16)26-18)12-2-4-14(21)5-3-12/h2-8,10,15H,9H2,1H3,(H,22,23,24)
InChIKeyOQUJWJFMGGZRHZ-UHFFFAOYSA-N
XLogP5.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide (CID 56971355) is N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc3c(s2)C(=O)CC3c2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide?
The InChIKey is OQUJWJFMGGZRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-11(24)23-19-8-13(6-7-22-19)18-10-16-15(9-17(25)20(16)26-18)12-2-4-14(21)5-3-12/h2-8,10,15H,9H2,1H3,(H,22,23,24).
What are the key properties of N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide?
N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide has a molecular weight of 382.87 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 56971355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).