1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone

C22H25N3O4S — CID 45495139

IUPAC1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)CC1
InChIInChI=1S/C22H25N3O4S/c1-30(27,28)25-13-11-23(12-14-25)22(26)16-24-10-9-19-15-20(7-8-21(19)24)29-17-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3
InChIKeyZRLDMDHJPFHFSZ-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.32
Rot. Bonds6

About 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone

1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone (PubChem CID 45495139) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone
PubChem CID45495139
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)CC1
InChIInChI=1S/C22H25N3O4S/c1-30(27,28)25-13-11-23(12-14-25)22(26)16-24-10-9-19-15-20(7-8-21(19)24)29-17-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3
InChIKeyZRLDMDHJPFHFSZ-UHFFFAOYSA-N
XLogP2.32
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide
CID 177163810
2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45493262
4-methylsulfanyl-2-[[2-(5-phenylmethoxyindol-1-yl)acetyl]amino]butanoic acid
CID 75117736
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-indol-1-ylethanone
CID 60550687
2-(4-methylsulfonylpiperazin-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 42653902
N'-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]-2-phenoxyethanimidamide
CID 55542636
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone?
The IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone (CID 45495139) is 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone?
The canonical SMILES for 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone is CS(=O)(=O)N1CCN(C(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)CC1.
What is the InChIKey of 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone?
The InChIKey is ZRLDMDHJPFHFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-30(27,28)25-13-11-23(12-14-25)22(26)16-24-10-9-19-15-20(7-8-21(19)24)29-17-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3.
What are the key properties of 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone?
1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone has a molecular weight of 427.53 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone is sourced from PubChem (CID 45495139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).