2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide

C22H19ClN2O3S — CID 90113094

IUPAC2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(S(=O)(=O)c2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C22H19ClN2O3S/c23-16-4-1-3-15(12-16)20-13-21(18-5-2-6-19(18)25-20)29(27,28)17-9-7-14(8-10-17)11-22(24)26/h1,3-4,7-10,12-13H,2,5-6,11H2,(H2,24,26)
InChIKeyADVRVWAAZIHFNK-UHFFFAOYSA-N
MW426.93 g/mol
LogP3.75
Rot. Bonds5

About 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide

2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide (PubChem CID 90113094) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide
PubChem CID90113094
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(S(=O)(=O)c2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1
InChIInChI=1S/C22H19ClN2O3S/c23-16-4-1-3-15(12-16)20-13-21(18-5-2-6-19(18)25-20)29(27,28)17-9-7-14(8-10-17)11-22(24)26/h1,3-4,7-10,12-13H,2,5-6,11H2,(H2,24,26)
InChIKeyADVRVWAAZIHFNK-UHFFFAOYSA-N
XLogP3.75
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide (CID 90113094) is 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide is NC(=O)Cc1ccc(S(=O)(=O)c2cc(-c3cccc(Cl)c3)nc3c2CCC3)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide?
The InChIKey is ADVRVWAAZIHFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c23-16-4-1-3-15(12-16)20-13-21(18-5-2-6-19(18)25-20)29(27,28)17-9-7-14(8-10-17)11-22(24)26/h1,3-4,7-10,12-13H,2,5-6,11H2,(H2,24,26).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide?
2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide has a molecular weight of 426.93 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 90113094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).