2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide

C14H9Cl2NO2S — CID 40605161

IUPAC2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide
SMILESO=C(N[C@H]1CC(=O)c2sccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2NO2S/c15-7-1-2-8(10(16)5-7)14(19)17-11-6-12(18)13-9(11)3-4-20-13/h1-5,11H,6H2,(H,17,19)/t11-/m0/s1
InChIKeySBBSYDJACJBNAS-NSHDSACASA-N
MW326.20 g/mol
LogP4.11
Rot. Bonds2

About 2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide

2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide (PubChem CID 40605161) has the molecular formula C14H9Cl2NO2S and a molecular weight of 326.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide
PubChem CID40605161
Molecular FormulaC14H9Cl2NO2S
Molecular Weight326.20 g/mol
Exact Mass324.97
IUPAC Name2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide
SMILESO=C(N[C@H]1CC(=O)c2sccc21)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2NO2S/c15-7-1-2-8(10(16)5-7)14(19)17-11-6-12(18)13-9(11)3-4-20-13/h1-5,11H,6H2,(H,17,19)/t11-/m0/s1
InChIKeySBBSYDJACJBNAS-NSHDSACASA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide (CID 40605161) is 2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide is O=C(N[C@H]1CC(=O)c2sccc21)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide?
The InChIKey is SBBSYDJACJBNAS-NSHDSACASA-N. The full InChI is InChI=1S/C14H9Cl2NO2S/c15-7-1-2-8(10(16)5-7)14(19)17-11-6-12(18)13-9(11)3-4-20-13/h1-5,11H,6H2,(H,17,19)/t11-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide?
2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide has a molecular weight of 326.20 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(4S)-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl]benzamide is sourced from PubChem (CID 40605161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).