(4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C21H20ClNO2S2 — CID 30795922

IUPAC(4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(CCN1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClNO2S2/c22-17-6-8-18(9-7-17)27(24,25)15-13-23-12-10-20-19(11-14-26-20)21(23)16-4-2-1-3-5-16/h1-9,11,14,21H,10,12-13,15H2/t21-/m1/s1
InChIKeySQDJMLSBKIWBSL-OAQYLSRUSA-N
MW417.98 g/mol
LogP4.82
Rot. Bonds5

About (4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

(4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 30795922) has the molecular formula C21H20ClNO2S2 and a molecular weight of 417.98 g/mol. Its IUPAC name is (4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name(4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID30795922
Molecular FormulaC21H20ClNO2S2
Molecular Weight417.98 g/mol
Exact Mass417.06
IUPAC Name(4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(CCN1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClNO2S2/c22-17-6-8-18(9-7-17)27(24,25)15-13-23-12-10-20-19(11-14-26-20)21(23)16-4-2-1-3-5-16/h1-9,11,14,21H,10,12-13,15H2/t21-/m1/s1
InChIKeySQDJMLSBKIWBSL-OAQYLSRUSA-N
XLogP4.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 98195101
1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 93008726
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25489177
(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 95933696
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
4-chloro-N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide
CID 3932524
1-[4-(2-chloroacetyl)piperazin-1-yl]-2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 42873398
2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 26009328
2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 129376769
N-(3,4-difluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492460
(1S)-1-(3,4-difluorophenyl)-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol
CID 124856620
N-benzyl-N-methyl-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55432262

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of (4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 30795922) is (4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for (4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for (4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is O=S(=O)(CCN1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is SQDJMLSBKIWBSL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20ClNO2S2/c22-17-6-8-18(9-7-17)27(24,25)15-13-23-12-10-20-19(11-14-26-20)21(23)16-4-2-1-3-5-16/h1-9,11,14,21H,10,12-13,15H2/t21-/m1/s1.
What are the key properties of (4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
(4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 417.98 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[2-(4-chlorophenyl)sulfonylethyl]-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 30795922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).