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

C22H20ClNO4S2 — CID 95061804

IUPAC(7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1
InChIInChI=1S/C22H20ClNO4S2/c1-2-11-28-16-7-3-14(4-8-16)18-12-20(25)24-21-19(13-29-22(18)21)30(26,27)17-9-5-15(23)6-10-17/h3-10,13,18H,2,11-12H2,1H3,(H,24,25)/t18-/m0/s1
InChIKeyAYDXIBUGKFBELW-SFHVURJKSA-N
MW461.99 g/mol
LogP5.50
Rot. Bonds6

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

(7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 95061804) has the molecular formula C22H20ClNO4S2 and a molecular weight of 461.99 g/mol. Its IUPAC name is (7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID95061804
Molecular FormulaC22H20ClNO4S2
Molecular Weight461.99 g/mol
Exact Mass461.05
IUPAC Name(7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1
InChIInChI=1S/C22H20ClNO4S2/c1-2-11-28-16-7-3-14(4-8-16)18-12-20(25)24-21-19(13-29-22(18)21)30(26,27)17-9-5-15(23)6-10-17/h3-10,13,18H,2,11-12H2,1H3,(H,24,25)/t18-/m0/s1
InChIKeyAYDXIBUGKFBELW-SFHVURJKSA-N
XLogP5.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S)-3-(4-chlorophenyl)sulfonyl-7-(4-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055277
(7S)-3-(4-methylphenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055224
3-(4-chlorophenyl)sulfonyl-7-(4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53047425
(7R)-3-(4-chlorophenyl)sulfonyl-7-(4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061809
(7R)-3-(4-chlorophenyl)sulfonyl-7-(3-methoxy-4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061819
(7R)-7-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055251
7-(4-ethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53047450
(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
(7R)-3-(4-chlorophenyl)sulfonyl-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559093
(7R)-3-(4-methylphenyl)sulfonyl-7-(3-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055254
(7R)-3-(4-methylphenyl)sulfonyl-7-[4-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061728

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 95061804) is (7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CCCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)cc1.
What is the InChIKey of (7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is AYDXIBUGKFBELW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H20ClNO4S2/c1-2-11-28-16-7-3-14(4-8-16)18-12-20(25)24-21-19(13-29-22(18)21)30(26,27)17-9-5-15(23)6-10-17/h3-10,13,18H,2,11-12H2,1H3,(H,24,25)/t18-/m0/s1.
What are the key properties of (7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 461.99 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(4-chlorophenyl)sulfonyl-7-(4-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 95061804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).