2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

C24H30N2O6S — CID 43077828

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)Oc3ccc4c(c3)CCC4)CC2)cc1OC
InChIInChI=1S/C24H30N2O6S/c1-17(32-20-8-7-18-5-4-6-19(18)15-20)24(27)25-11-13-26(14-12-25)33(28,29)21-9-10-22(30-2)23(16-21)31-3/h7-10,15-17H,4-6,11-14H2,1-3H3
InChIKeyULNYLULUSMCINP-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.49
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one

2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 43077828) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID43077828
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)Oc3ccc4c(c3)CCC4)CC2)cc1OC
InChIInChI=1S/C24H30N2O6S/c1-17(32-20-8-7-18-5-4-6-19(18)15-20)24(27)25-11-13-26(14-12-25)33(28,29)21-9-10-22(30-2)23(16-21)31-3/h7-10,15-17H,4-6,11-14H2,1-3H3
InChIKeyULNYLULUSMCINP-UHFFFAOYSA-N
XLogP2.49
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-one
CID 43003247
1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethoxypropan-1-one
CID 55686589
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-methylbutan-1-one
CID 18148708
methyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 110818539
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8933880
(2S)-2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 35329051
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoacetate
CID 2051856
(2S)-2-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 119687812
4-(3,4-dimethoxyphenyl)sulfonyl-N-pentan-2-ylpiperazine-1-carboxamide
CID 46486070
(2S)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-nitrophenoxy)propan-1-one
CID 42561110
2-(2-methoxy-4-methylphenoxy)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone
CID 31137141
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-(2,3,4-trimethoxyphenyl)propan-1-one
CID 55876132

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 43077828) is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is COc1ccc(S(=O)(=O)N2CCN(C(=O)C(C)Oc3ccc4c(c3)CCC4)CC2)cc1OC.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is ULNYLULUSMCINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-17(32-20-8-7-18-5-4-6-19(18)15-20)24(27)25-11-13-26(14-12-25)33(28,29)21-9-10-22(30-2)23(16-21)31-3/h7-10,15-17H,4-6,11-14H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one?
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 474.58 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 43077828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).