(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione

C23H24N2O4S — CID 101371437

IUPAC(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione
SMILESCc1ccc(S(=O)(=O)[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C[C@@H]2C)cc1
InChIInChI=1S/C23H24N2O4S/c1-15-7-9-18(10-8-15)30(28,29)22-16(2)13-21(26)25(23(22)27)12-11-17-14-24-20-6-4-3-5-19(17)20/h3-10,14,16,22,24H,11-13H2,1-2H3/t16-,22+/m0/s1
InChIKeyLJQHYQVJZMLYHZ-KSFYIVLOSA-N
MW424.52 g/mol
LogP3.26
Rot. Bonds5

About (3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione

(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione (PubChem CID 101371437) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is (3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione
PubChem CID101371437
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione
SMILESCc1ccc(S(=O)(=O)[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C[C@@H]2C)cc1
InChIInChI=1S/C23H24N2O4S/c1-15-7-9-18(10-8-15)30(28,29)22-16(2)13-21(26)25(23(22)27)12-11-17-14-24-20-6-4-3-5-19(17)20/h3-10,14,16,22,24H,11-13H2,1-2H3/t16-,22+/m0/s1
InChIKeyLJQHYQVJZMLYHZ-KSFYIVLOSA-N
XLogP3.26
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
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CID 110412529
3-(1-benzylindol-3-yl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
CID 4313715
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23886885
(3R)-N-[2-(1H-indol-3-yl)ethyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41063066
(4S,7R,8S,9aS)-4-(1H-indol-3-ylmethyl)-8-methyl-7-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-d][1,4]diazepine-2,5-dione
CID 73441085
1-[2-(1H-indol-3-yl)ethyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571676
3-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1H-indole
CID 110412528
3-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-indole
CID 113074456
3-(4-ethylpiperazin-1-yl)-1-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110571672
2-[2-(1H-indol-3-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 3775891
5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione
CID 167774874

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione?
The IUPAC name of (3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione (CID 101371437) is (3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione.
What is the SMILES notation for (3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione?
The canonical SMILES for (3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione is Cc1ccc(S(=O)(=O)[C@H]2C(=O)N(CCc3c[nH]c4ccccc34)C(=O)C[C@@H]2C)cc1.
What is the InChIKey of (3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione?
The InChIKey is LJQHYQVJZMLYHZ-KSFYIVLOSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-15-7-9-18(10-8-15)30(28,29)22-16(2)13-21(26)25(23(22)27)12-11-17-14-24-20-6-4-3-5-19(17)20/h3-10,14,16,22,24H,11-13H2,1-2H3/t16-,22+/m0/s1.
What are the key properties of (3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione?
(3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione has a molecular weight of 424.52 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(4-methylphenyl)sulfonylpiperidine-2,6-dione is sourced from PubChem (CID 101371437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).