1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine

C21H25NO4S2 — CID 133444352

IUPAC1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine
SMILESCCc1ccc(C2=CCN(c3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C21H25NO4S2/c1-4-16-5-7-17(8-6-16)18-11-13-22(14-12-18)20-10-9-19(27(2,23)24)15-21(20)28(3,25)26/h5-11,15H,4,12-14H2,1-3H3
InChIKeyWCHRVVJHBKBREQ-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.35
Rot. Bonds5

About 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine

1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine (PubChem CID 133444352) has the molecular formula C21H25NO4S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine
PubChem CID133444352
Molecular FormulaC21H25NO4S2
Molecular Weight419.57 g/mol
Exact Mass419.12
IUPAC Name1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine
SMILESCCc1ccc(C2=CCN(c3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C21H25NO4S2/c1-4-16-5-7-17(8-6-16)18-11-13-22(14-12-18)20-10-9-19(27(2,23)24)15-21(20)28(3,25)26/h5-11,15H,4,12-14H2,1-3H3
InChIKeyWCHRVVJHBKBREQ-UHFFFAOYSA-N
XLogP3.35
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine 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

4-(4-ethylphenyl)-1-(4-methylsulfonylphenyl)-3,6-dihydro-2H-pyridine
CID 133452191
[3-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-nitrophenyl]methanol
CID 133438790
1-[2,4-bis(methylsulfonyl)phenyl]-4-ethylpiperidine
CID 56797131
1-[2,4-bis(methylsulfonyl)phenyl]-1,4-diazepan-5-one
CID 56809674
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol
CID 22109063
1-ethyl-4-methylsulfonylbenzene
CID 143759723
1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 25329772
1-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-2-bromoethanone
CID 118513757
N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide
CID 47058453
4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine
CID 42926998
1-[2,4-bis(methylsulfonyl)phenyl]-4-methylazepane
CID 56800063
1-[2,4-bis(methylsulfonyl)phenyl]-3-methylpiperidine
CID 17408554

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine (CID 133444352) is 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine is CCc1ccc(C2=CCN(c3ccc(S(C)(=O)=O)cc3S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is WCHRVVJHBKBREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S2/c1-4-16-5-7-17(8-6-16)18-11-13-22(14-12-18)20-10-9-19(27(2,23)24)15-21(20)28(3,25)26/h5-11,15H,4,12-14H2,1-3H3.
What are the key properties of 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine?
1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 419.57 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 133444352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).