(2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole

C24H25NO4S — CID 102385769

IUPAC(2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole
SMILESCOc1cc(OC)c2c(c1)N(S(=O)(=O)c1ccc(C)cc1)[C@H](C)[C@H]2c1ccccc1
InChIInChI=1S/C24H25NO4S/c1-16-10-12-20(13-11-16)30(26,27)25-17(2)23(18-8-6-5-7-9-18)24-21(25)14-19(28-3)15-22(24)29-4/h5-15,17,23H,1-4H3/t17-,23+/m1/s1
InChIKeyKYRWZRKBKOUJGE-HXOBKFHXSA-N
MW423.53 g/mol
LogP4.74
Rot. Bonds5

About (2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole

(2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole (PubChem CID 102385769) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is (2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole
PubChem CID102385769
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name(2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole
SMILESCOc1cc(OC)c2c(c1)N(S(=O)(=O)c1ccc(C)cc1)[C@H](C)[C@H]2c1ccccc1
InChIInChI=1S/C24H25NO4S/c1-16-10-12-20(13-11-16)30(26,27)25-17(2)23(18-8-6-5-7-9-18)24-21(25)14-19(28-3)15-22(24)29-4/h5-15,17,23H,1-4H3/t17-,23+/m1/s1
InChIKeyKYRWZRKBKOUJGE-HXOBKFHXSA-N
XLogP4.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole with MolForge

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Related Compounds

(2S,3S)-3-ethenyl-6-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydroindole
CID 164667656
1-(benzenesulfonyl)-5,7-dimethoxy-3,4-dihydro-2H-quinoline
CID 110671607
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
5-methoxy-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 76517658
5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole
CID 134946152
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
1-[6,8-dimethoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazin-3-yl]pyrrolidin-2-one
CID 135009215
(3-methoxyphenyl)-phenyliodanium;4-methylbenzenesulfonate
CID 10528781
5-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3-phenyl-1,3-dihydropyrazole
CID 53453555
N-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 2957869
(2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol
CID 10670062
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole?
The IUPAC name of (2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole (CID 102385769) is (2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole.
What is the SMILES notation for (2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole?
The canonical SMILES for (2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole is COc1cc(OC)c2c(c1)N(S(=O)(=O)c1ccc(C)cc1)[C@H](C)[C@H]2c1ccccc1.
What is the InChIKey of (2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole?
The InChIKey is KYRWZRKBKOUJGE-HXOBKFHXSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-16-10-12-20(13-11-16)30(26,27)25-17(2)23(18-8-6-5-7-9-18)24-21(25)14-19(28-3)15-22(24)29-4/h5-15,17,23H,1-4H3/t17-,23+/m1/s1.
What are the key properties of (2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole?
(2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole has a molecular weight of 423.53 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole is sourced from PubChem (CID 102385769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).