1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

C24H29N3O5S — CID 26419222

IUPAC1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C24H29N3O5S/c1-31-19-10-11-22(32-2)23(16-19)33(29,30)27-14-12-26(13-15-27)24(28)9-5-6-18-17-25-21-8-4-3-7-20(18)21/h3-4,7-8,10-11,16-17,25H,5-6,9,12-15H2,1-2H3
InChIKeyCHPXYSHGNWCYFL-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.04
Rot. Bonds8

About 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one (PubChem CID 26419222) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
PubChem CID26419222
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C24H29N3O5S/c1-31-19-10-11-22(32-2)23(16-19)33(29,30)27-14-12-26(13-15-27)24(28)9-5-6-18-17-25-21-8-4-3-7-20(18)21/h3-4,7-8,10-11,16-17,25H,5-6,9,12-15H2,1-2H3
InChIKeyCHPXYSHGNWCYFL-UHFFFAOYSA-N
XLogP3.04
TPSA91.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 26419309
N-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 43039559
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 26757113
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 84563257
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
4-(1H-indol-3-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 26868103
N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2109484
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylethanone
CID 41498831
2-(2-chlorophenoxy)-1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 26419289
3-(1H-indol-3-yl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 26868373
4-[4-(1H-indol-3-yl)butanoyl]-N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 73257844
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one (CID 26419222) is 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one is COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
The InChIKey is CHPXYSHGNWCYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-31-19-10-11-22(32-2)23(16-19)33(29,30)27-14-12-26(13-15-27)24(28)9-5-6-18-17-25-21-8-4-3-7-20(18)21/h3-4,7-8,10-11,16-17,25H,5-6,9,12-15H2,1-2H3.
What are the key properties of 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one?
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one has a molecular weight of 471.58 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 26419222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).