(7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C24H23NO4S2 — CID 95061614

IUPAC(7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccccc2OC2CCCC2)c2scc(S(=O)(=O)c3ccccc3)c2N1
InChIInChI=1S/C24H23NO4S2/c26-22-14-19(18-12-6-7-13-20(18)29-16-8-4-5-9-16)24-23(25-22)21(15-30-24)31(27,28)17-10-2-1-3-11-17/h1-3,6-7,10-13,15-16,19H,4-5,8-9,14H2,(H,25,26)/t19-/m1/s1
InChIKeyJNPLLINZRHMSHK-LJQANCHMSA-N
MW453.59 g/mol
LogP5.38
Rot. Bonds5

About (7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 95061614) has the molecular formula C24H23NO4S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is (7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID95061614
Molecular FormulaC24H23NO4S2
Molecular Weight453.59 g/mol
Exact Mass453.11
IUPAC Name(7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccccc2OC2CCCC2)c2scc(S(=O)(=O)c3ccccc3)c2N1
InChIInChI=1S/C24H23NO4S2/c26-22-14-19(18-12-6-7-13-20(18)29-16-8-4-5-9-16)24-23(25-22)21(15-30-24)31(27,28)17-10-2-1-3-11-17/h1-3,6-7,10-13,15-16,19H,4-5,8-9,14H2,(H,25,26)/t19-/m1/s1
InChIKeyJNPLLINZRHMSHK-LJQANCHMSA-N
XLogP5.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061613
3-(benzenesulfonyl)-7-(2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53003505
3-(benzenesulfonyl)-7-naphthalen-1-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53047313
(7S)-3-(benzenesulfonyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061610
(7S)-3-(benzenesulfonyl)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061516
(7S)-7-(4-cyclopentyloxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061747
(7R)-3-(4-methoxyphenyl)sulfonyl-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061924
(7R)-3-(benzenesulfonyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055136
(7S)-3-(4-methoxyphenyl)sulfonyl-7-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055281
(7S)-7-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055303
4-[(7S)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid
CID 95061599
4-[(7R)-3-(benzenesulfonyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoic acid
CID 95061598

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 95061614) is (7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@H](c2ccccc2OC2CCCC2)c2scc(S(=O)(=O)c3ccccc3)c2N1.
What is the InChIKey of (7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is JNPLLINZRHMSHK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23NO4S2/c26-22-14-19(18-12-6-7-13-20(18)29-16-8-4-5-9-16)24-23(25-22)21(15-30-24)31(27,28)17-10-2-1-3-11-17/h1-3,6-7,10-13,15-16,19H,4-5,8-9,14H2,(H,25,26)/t19-/m1/s1.
What are the key properties of (7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 453.59 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 95061614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).