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

C24H24ClNO5S2 — CID 42583205

IUPAC(7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCOc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)ccc1OC(C)C
InChIInChI=1S/C24H24ClNO5S2/c1-4-30-20-11-15(5-10-19(20)31-14(2)3)18-12-22(27)26-23-21(13-32-24(18)23)33(28,29)17-8-6-16(25)7-9-17/h5-11,13-14,18H,4,12H2,1-3H3,(H,26,27)/t18-/m1/s1
InChIKeyOPKUTOHZRWPQEQ-GOSISDBHSA-N
MW506.05 g/mol
LogP5.89
Rot. Bonds7

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

(7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42583205) has the molecular formula C24H24ClNO5S2 and a molecular weight of 506.05 g/mol. Its IUPAC name is (7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42583205
Molecular FormulaC24H24ClNO5S2
Molecular Weight506.05 g/mol
Exact Mass505.08
IUPAC Name(7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCOc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)ccc1OC(C)C
InChIInChI=1S/C24H24ClNO5S2/c1-4-30-20-11-15(5-10-19(20)31-14(2)3)18-12-22(27)26-23-21(13-32-24(18)23)33(28,29)17-8-6-16(25)7-9-17/h5-11,13-14,18H,4,12H2,1-3H3,(H,26,27)/t18-/m1/s1
InChIKeyOPKUTOHZRWPQEQ-GOSISDBHSA-N
XLogP5.89
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.05
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-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

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42583205) is (7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CCOc1cc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(Cl)cc4)csc32)ccc1OC(C)C.
What is the InChIKey of (7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is OPKUTOHZRWPQEQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24ClNO5S2/c1-4-30-20-11-15(5-10-19(20)31-14(2)3)18-12-22(27)26-23-21(13-32-24(18)23)33(28,29)17-8-6-16(25)7-9-17/h5-11,13-14,18H,4,12H2,1-3H3,(H,26,27)/t18-/m1/s1.
What are the key properties of (7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 506.05 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42583205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).