N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide

C24H26ClN3O3S — CID 20902688

IUPACN-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
SMILESCC1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(Cl)cc3)c3ccccc32)CC(C)O1
InChIInChI=1S/C24H26ClN3O3S/c1-16-11-28(12-17(2)31-16)24(30)14-27-13-22(20-5-3-4-6-21(20)27)32-15-23(29)26-19-9-7-18(25)8-10-19/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,26,29)
InChIKeySOFXGFWWAHSFRV-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.66
Rot. Bonds6

About N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide (PubChem CID 20902688) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
PubChem CID20902688
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC NameN-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide
SMILESCC1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(Cl)cc3)c3ccccc32)CC(C)O1
InChIInChI=1S/C24H26ClN3O3S/c1-16-11-28(12-17(2)31-16)24(30)14-27-13-22(20-5-3-4-6-21(20)27)32-15-23(29)26-19-9-7-18(25)8-10-19/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,26,29)
InChIKeySOFXGFWWAHSFRV-UHFFFAOYSA-N
XLogP4.66
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 40940084
N-(1,3-benzodioxol-5-yl)-2-[1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanylacetamide
CID 27603929
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-propylacetamide
CID 27636487
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-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 27655911
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[3-(2-oxo-2-piperidin-1-ylethyl)sulfanylindol-1-yl]ethanone
CID 27603663
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,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-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 27603651

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide (CID 20902688) is N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide is CC1CN(C(=O)Cn2cc(SCC(=O)Nc3ccc(Cl)cc3)c3ccccc32)CC(C)O1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide?
The InChIKey is SOFXGFWWAHSFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-16-11-28(12-17(2)31-16)24(30)14-27-13-22(20-5-3-4-6-21(20)27)32-15-23(29)26-19-9-7-18(25)8-10-19/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide has a molecular weight of 472.01 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 20902688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).