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

C23H24Cl2N2O2S — CID 43958205

IUPAC2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cn2cc(SCc3ccc(Cl)c(Cl)c3)c3ccccc32)CC(C)O1
InChIInChI=1S/C23H24Cl2N2O2S/c1-15-10-27(11-16(2)29-15)23(28)13-26-12-22(18-5-3-4-6-21(18)26)30-14-17-7-8-19(24)20(25)9-17/h3-9,12,15-16H,10-11,13-14H2,1-2H3
InChIKeyQTNAPNSQMMPTJW-UHFFFAOYSA-N
MW463.43 g/mol
LogP5.88
Rot. Bonds5

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

2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 43958205) has the molecular formula C23H24Cl2N2O2S and a molecular weight of 463.43 g/mol. Its IUPAC name is 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID43958205
Molecular FormulaC23H24Cl2N2O2S
Molecular Weight463.43 g/mol
Exact Mass462.09
IUPAC Name2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cn2cc(SCc3ccc(Cl)c(Cl)c3)c3ccccc32)CC(C)O1
InChIInChI=1S/C23H24Cl2N2O2S/c1-15-10-27(11-16(2)29-15)23(28)13-26-12-22(18-5-3-4-6-21(18)26)30-14-17-7-8-19(24)20(25)9-17/h3-9,12,15-16H,10-11,13-14H2,1-2H3
InChIKeyQTNAPNSQMMPTJW-UHFFFAOYSA-N
XLogP5.88
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.43
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethanone
CID 8543916
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
N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 20902688
N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 40940084
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
2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 40940106

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 43958205) is 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)Cn2cc(SCc3ccc(Cl)c(Cl)c3)c3ccccc32)CC(C)O1.
What is the InChIKey of 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is QTNAPNSQMMPTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O2S/c1-15-10-27(11-16(2)29-15)23(28)13-26-12-22(18-5-3-4-6-21(18)26)30-14-17-7-8-19(24)20(25)9-17/h3-9,12,15-16H,10-11,13-14H2,1-2H3.
What are the key properties of 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 463.43 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-dichlorophenyl)methylsulfanyl]indol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43958205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).