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

C21H19NOS — CID 94086063

IUPAC(7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(C)cc2)cc1
InChIInChI=1S/C21H19NOS/c1-13-3-7-15(8-4-13)17-11-19(23)22-20-18(12-24-21(17)20)16-9-5-14(2)6-10-16/h3-10,12,17H,11H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyONYLOIKDMJVDSN-KRWDZBQOSA-N
MW333.46 g/mol
LogP5.51
Rot. Bonds2

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

(7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 94086063) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is (7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID94086063
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name(7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(C)cc2)cc1
InChIInChI=1S/C21H19NOS/c1-13-3-7-15(8-4-13)17-11-19(23)22-20-18(12-24-21(17)20)16-9-5-14(2)6-10-16/h3-10,12,17H,11H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyONYLOIKDMJVDSN-KRWDZBQOSA-N
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-7-(4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811544
(7S)-7-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086223
(7R)-7-(4-hydroxyphenyl)-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715912
(7R)-7-(4-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086142
3-(4-chlorophenyl)-7-(4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 22587180
methyl 4-[3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]benzoate
CID 50811476
(7S)-3-(4-methoxyphenyl)-7-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95054364
(7R)-7-(4-ethoxyphenyl)-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715902
3-(4-methoxyphenyl)-7-(4-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811599
3-(4-fluorophenyl)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811673
(7S)-7-(3-methoxy-4-prop-2-ynoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086087
(7R)-7-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086539

Frequently Asked Questions

What is the IUPAC name of (7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 94086063) is (7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is Cc1ccc(-c2csc3c2NC(=O)C[C@H]3c2ccc(C)cc2)cc1.
What is the InChIKey of (7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is ONYLOIKDMJVDSN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19NOS/c1-13-3-7-15(8-4-13)17-11-19(23)22-20-18(12-24-21(17)20)16-9-5-14(2)6-10-16/h3-10,12,17H,11H2,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 333.46 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 94086063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).