1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone

C24H28N2O2S — CID 8543916

IUPAC1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone
SMILESCc1cccc(CSc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc23)c1
InChIInChI=1S/C24H28N2O2S/c1-17-7-6-8-20(11-17)16-29-23-14-25(22-10-5-4-9-21(22)23)15-24(27)26-12-18(2)28-19(3)13-26/h4-11,14,18-19H,12-13,15-16H2,1-3H3/t18-,19-/m1/s1
InChIKeyHIUGDUZUJCNVQE-RTBURBONSA-N
MW408.57 g/mol
LogP4.88
Rot. Bonds5

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone (PubChem CID 8543916) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone
PubChem CID8543916
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone
SMILESCc1cccc(CSc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc23)c1
InChIInChI=1S/C24H28N2O2S/c1-17-7-6-8-20(11-17)16-29-23-14-25(22-10-5-4-9-21(22)23)15-24(27)26-12-18(2)28-19(3)13-26/h4-11,14,18-19H,12-13,15-16H2,1-3H3/t18-,19-/m1/s1
InChIKeyHIUGDUZUJCNVQE-RTBURBONSA-N
XLogP4.88
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone with MolForge

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Related Compounds

2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43958205
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[3-[(2-fluorophenyl)methylsulfanyl]indol-1-yl]ethanone
CID 8544009
2-[1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetonitrile
CID 26918763
2-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanylindol-1-yl]-1-piperidin-1-ylethanone
CID 40649565
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylindol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 20902680
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethanone
CID 27603663
2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 40940106
2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 27603651
2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-propylacetamide
CID 27636487
2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-propylacetamide
CID 20902720
N-(1,3-benzodioxol-5-yl)-2-[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 27603929
N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 40940084

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone (CID 8543916) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone is Cc1cccc(CSc2cn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c3ccccc23)c1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone?
The InChIKey is HIUGDUZUJCNVQE-RTBURBONSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-17-7-6-8-20(11-17)16-29-23-14-25(22-10-5-4-9-21(22)23)15-24(27)26-12-18(2)28-19(3)13-26/h4-11,14,18-19H,12-13,15-16H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone?
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone has a molecular weight of 408.57 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone is sourced from PubChem (CID 8543916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).