(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline

C24H25NO2S — CID 132969567

IUPAC(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C)[C@H](C)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H25NO2S/c1-17-13-15-21(16-14-17)28(26,27)25-23-12-8-7-11-22(23)18(2)19(3)24(25)20-9-5-4-6-10-20/h4-16,18-19,24H,1-3H3/t18-,19-,24-/m0/s1
InChIKeyMUJGHSNTZAMSSE-JXQFQVJHSA-N
MW391.54 g/mol
LogP5.68
Rot. Bonds3

About (2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline

(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline (PubChem CID 132969567) has the molecular formula C24H25NO2S and a molecular weight of 391.54 g/mol. Its IUPAC name is (2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
PubChem CID132969567
Molecular FormulaC24H25NO2S
Molecular Weight391.54 g/mol
Exact Mass391.16
IUPAC Name(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C)[C@H](C)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H25NO2S/c1-17-13-15-21(16-14-17)28(26,27)25-23-12-8-7-11-22(23)18(2)19(3)24(25)20-9-5-4-6-10-20/h4-16,18-19,24H,1-3H3/t18-,19-,24-/m0/s1
InChIKeyMUJGHSNTZAMSSE-JXQFQVJHSA-N
XLogP5.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
CID 92533105
2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 132940992
(1R,9R)-17-ethyl-8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 6602036
1-(4-methylphenyl)sulfonyl-2-phenyl-2H-quinoline
CID 10618601
2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine
CID 588949
(3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one
CID 102167394
(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
2-(2-ethynylphenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 139255937
5-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 132940995
(2S,3S)-3-ethenyl-6-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydroindole
CID 164667656

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline (CID 132969567) is (2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline is Cc1ccc(S(=O)(=O)N2c3ccccc3[C@@H](C)[C@H](C)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline?
The InChIKey is MUJGHSNTZAMSSE-JXQFQVJHSA-N. The full InChI is InChI=1S/C24H25NO2S/c1-17-13-15-21(16-14-17)28(26,27)25-23-12-8-7-11-22(23)18(2)19(3)24(25)20-9-5-4-6-10-20/h4-16,18-19,24H,1-3H3/t18-,19-,24-/m0/s1.
What are the key properties of (2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline?
(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline has a molecular weight of 391.54 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 132969567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).