2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

C19H22N2O4S2 — CID 2971497

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O4S2/c22-18(14-25-17-7-6-15-3-1-4-16(15)13-17)20-8-10-21(11-9-20)27(23,24)19-5-2-12-26-19/h2,5-7,12-13H,1,3-4,8-11,14H2
InChIKeyXBRHLAXUPZNGKB-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.15
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 2971497) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID2971497
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O4S2/c22-18(14-25-17-7-6-15-3-1-4-16(15)13-17)20-8-10-21(11-9-20)27(23,24)19-5-2-12-26-19/h2,5-7,12-13H,1,3-4,8-11,14H2
InChIKeyXBRHLAXUPZNGKB-UHFFFAOYSA-N
XLogP2.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 7750224
2-(3-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 8924494
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022751
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 8640845
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152944
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 18138896
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180941
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 9226254
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2713016
2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid
CID 139618989

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone (CID 2971497) is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is O=C(COc1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is XBRHLAXUPZNGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c22-18(14-25-17-7-6-15-3-1-4-16(15)13-17)20-8-10-21(11-9-20)27(23,24)19-5-2-12-26-19/h2,5-7,12-13H,1,3-4,8-11,14H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 406.53 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2971497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).