(7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

C25H27NS — CID 92502163

IUPAC(7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESC=Cc1ccc(CN2CCc3c(sc(C)c3CC)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C25H27NS/c1-4-19-11-13-20(14-12-19)17-26-16-15-23-22(5-2)18(3)27-25(23)24(26)21-9-7-6-8-10-21/h4,6-14,24H,1,5,15-17H2,2-3H3/t24-/m0/s1
InChIKeyYNWXCISGUIHPKJ-DEOSSOPVSA-N
MW373.57 g/mol
LogP6.41
Rot. Bonds5

About (7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

(7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 92502163) has the molecular formula C25H27NS and a molecular weight of 373.57 g/mol. Its IUPAC name is (7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name(7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID92502163
Molecular FormulaC25H27NS
Molecular Weight373.57 g/mol
Exact Mass373.19
IUPAC Name(7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESC=Cc1ccc(CN2CCc3c(sc(C)c3CC)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C25H27NS/c1-4-19-11-13-20(14-12-19)17-26-16-15-23-22(5-2)18(3)27-25(23)24(26)21-9-7-6-8-10-21/h4,6-14,24H,1,5,15-17H2,2-3H3/t24-/m0/s1
InChIKeyYNWXCISGUIHPKJ-DEOSSOPVSA-N
XLogP6.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.57
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of (7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 92502163) is (7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for (7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for (7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is C=Cc1ccc(CN2CCc3c(sc(C)c3CC)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is YNWXCISGUIHPKJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H27NS/c1-4-19-11-13-20(14-12-19)17-26-16-15-23-22(5-2)18(3)27-25(23)24(26)21-9-7-6-8-10-21/h4,6-14,24H,1,5,15-17H2,2-3H3/t24-/m0/s1.
What are the key properties of (7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
(7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 373.57 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 92502163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).