(7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C22H20ClNO3S — CID 42583230

IUPAC(7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCOc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNO3S/c1-2-26-20-11-15(17-12-21(25)24-18-9-10-28-22(17)18)5-8-19(20)27-13-14-3-6-16(23)7-4-14/h3-11,17H,2,12-13H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyHFBVKNNIFCLXQE-QGZVFWFLSA-N
MW413.93 g/mol
LogP5.85
Rot. Bonds6

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

(7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42583230) has the molecular formula C22H20ClNO3S and a molecular weight of 413.93 g/mol. Its IUPAC name is (7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42583230
Molecular FormulaC22H20ClNO3S
Molecular Weight413.93 g/mol
Exact Mass413.09
IUPAC Name(7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCOc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNO3S/c1-2-26-20-11-15(17-12-21(25)24-18-9-10-28-22(17)18)5-8-19(20)27-13-14-3-6-16(23)7-4-14/h3-11,17H,2,12-13H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyHFBVKNNIFCLXQE-QGZVFWFLSA-N
XLogP5.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.93
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-3-(4-chlorophenyl)sulfonyl-7-(3,4-diethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061828
7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16764398
(7R)-7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590848
(7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590850
7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50945296
(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559305
(7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42558770
(6R,9S)-9-(4-chlorophenyl)-6-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 94484305
(7S)-2-amino-7-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 39338297
(7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590882
2-amino-7-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42654149
(2R,4R)-2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044863

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42583230) is (7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CCOc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of (7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is HFBVKNNIFCLXQE-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20ClNO3S/c1-2-26-20-11-15(17-12-21(25)24-18-9-10-28-22(17)18)5-8-19(20)27-13-14-3-6-16(23)7-4-14/h3-11,17H,2,12-13H2,1H3,(H,24,25)/t17-/m1/s1.
What are the key properties of (7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 413.93 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42583230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).