2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C16H21N3O4S — CID 110205754

IUPAC2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCn1ccc2c(OCC(=O)N3CCN(S(C)(=O)=O)CC3)cccc21
InChIInChI=1S/C16H21N3O4S/c1-17-7-6-13-14(17)4-3-5-15(13)23-12-16(20)18-8-10-19(11-9-18)24(2,21)22/h3-7H,8-12H2,1-2H3
InChIKeyNBBSZBLXKNYOAH-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.66
Rot. Bonds4

About 2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 110205754) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID110205754
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCn1ccc2c(OCC(=O)N3CCN(S(C)(=O)=O)CC3)cccc21
InChIInChI=1S/C16H21N3O4S/c1-17-7-6-13-14(17)4-3-5-15(13)23-12-16(20)18-8-10-19(11-9-18)24(2,21)22/h3-7H,8-12H2,1-2H3
InChIKeyNBBSZBLXKNYOAH-UHFFFAOYSA-N
XLogP0.66
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-naphthalen-1-yloxyethanone
CID 39977224
2-(2-aminophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 61026528
N-[2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]phenyl]acetamide
CID 31675809
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394
2-[4-(4-methylphenyl)phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31686501
2-(1-methylindol-4-yl)oxy-N-(3-morpholin-4-ylpropyl)acetamide
CID 110204153
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 26181380
2-(5-fluoro-2-nitrophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 27914613
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-ethylphenoxy)ethanone
CID 2710685
N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
CID 91822344
methyl 5-chloro-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzoate
CID 47084546
2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 97430729

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 110205754) is 2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone is Cn1ccc2c(OCC(=O)N3CCN(S(C)(=O)=O)CC3)cccc21.
What is the InChIKey of 2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is NBBSZBLXKNYOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-17-7-6-13-14(17)4-3-5-15(13)23-12-16(20)18-8-10-19(11-9-18)24(2,21)22/h3-7H,8-12H2,1-2H3.
What are the key properties of 2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 351.43 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-4-yl)oxy-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110205754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).