(7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C19H21NO3S — CID 42556465

IUPAC(7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OC1CCCC1
InChIInChI=1S/C19H21NO3S/c1-22-16-8-4-7-13(18(16)23-12-5-2-3-6-12)14-11-17(21)20-15-9-10-24-19(14)15/h4,7-10,12,14H,2-3,5-6,11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyRQRAVBLXJVZUHU-AWEZNQCLSA-N
MW343.45 g/mol
LogP4.55
Rot. Bonds4

About (7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42556465) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42556465
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name(7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OC1CCCC1
InChIInChI=1S/C19H21NO3S/c1-22-16-8-4-7-13(18(16)23-12-5-2-3-6-12)14-11-17(21)20-15-9-10-24-19(14)15/h4,7-10,12,14H,2-3,5-6,11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyRQRAVBLXJVZUHU-AWEZNQCLSA-N
XLogP4.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

(7S)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556463
(7R)-2-amino-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556464
7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763366
7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763364
(7R)-3-(benzenesulfonyl)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061613
(7R)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42587083
(7R)-7-(3-cyclopentyloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590902
7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50945296
(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556194
(7R)-2-amino-7-(2,3-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556453
7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763371
(7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42558770

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42556465) is (7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1OC1CCCC1.
What is the InChIKey of (7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is RQRAVBLXJVZUHU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-22-16-8-4-7-13(18(16)23-12-5-2-3-6-12)14-11-17(21)20-15-9-10-24-19(14)15/h4,7-10,12,14H,2-3,5-6,11H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 343.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42556465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).