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

C22H20ClNO6S2 — CID 95061815

IUPAC(7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cc(OC)c([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1OC
InChIInChI=1S/C22H20ClNO6S2/c1-28-16-10-18(30-3)17(29-2)8-14(16)15-9-20(25)24-21-19(11-31-22(15)21)32(26,27)13-6-4-12(23)5-7-13/h4-8,10-11,15H,9H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyUDDCRILMODCQNZ-OAHLLOKOSA-N
MW493.99 g/mol
LogP4.73
Rot. Bonds6

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

(7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 95061815) has the molecular formula C22H20ClNO6S2 and a molecular weight of 493.99 g/mol. Its IUPAC name is (7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID95061815
Molecular FormulaC22H20ClNO6S2
Molecular Weight493.99 g/mol
Exact Mass493.04
IUPAC Name(7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cc(OC)c([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1OC
InChIInChI=1S/C22H20ClNO6S2/c1-28-16-10-18(30-3)17(29-2)8-14(16)15-9-20(25)24-21-19(11-31-22(15)21)32(26,27)13-6-4-12(23)5-7-13/h4-8,10-11,15H,9H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyUDDCRILMODCQNZ-OAHLLOKOSA-N
XLogP4.73
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylphenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53047353
(7R)-3-(4-chlorophenyl)sulfonyl-7-(3-methoxy-4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061819
3-(benzenesulfonyl)-7-(2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53003505
(7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055251
(7S)-7-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061870
(7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559093
3-(4-methylphenyl)sulfonyl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53047352
(7R)-3-(4-chlorophenyl)sulfonyl-7-(3,4-diethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061828
3-(4-chlorophenyl)sulfonyl-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53047422
(7S)-7-(2-fluorophenyl)-3-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055303
(7S)-3-(4-chlorophenyl)sulfonyl-7-(4-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055277
(7S)-3-(4-methoxyphenyl)sulfonyl-7-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055281

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 95061815) is (7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1cc(OC)c([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1OC.
What is the InChIKey of (7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is UDDCRILMODCQNZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20ClNO6S2/c1-28-16-10-18(30-3)17(29-2)8-14(16)15-9-20(25)24-21-19(11-31-22(15)21)32(26,27)13-6-4-12(23)5-7-13/h4-8,10-11,15H,9H2,1-3H3,(H,24,25)/t15-/m1/s1.
What are the key properties of (7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 493.99 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(4-chlorophenyl)sulfonyl-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 95061815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).