2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one

C23H27N3O4S — CID 42927804

IUPAC2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)C(=O)N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C23H27N3O4S/c1-17(23(28)26-11-10-19-6-3-4-9-22(19)26)24-12-14-25(15-13-24)31(29,30)21-8-5-7-20(16-21)18(2)27/h3-9,16-17H,10-15H2,1-2H3
InChIKeyXMPJNHSKBVJTKT-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.17
Rot. Bonds5

About 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one

2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 42927804) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID42927804
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)C(=O)N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C23H27N3O4S/c1-17(23(28)26-11-10-19-6-3-4-9-22(19)26)24-12-14-25(15-13-24)31(29,30)21-8-5-7-20(16-21)18(2)27/h3-9,16-17H,10-15H2,1-2H3
InChIKeyXMPJNHSKBVJTKT-UHFFFAOYSA-N
XLogP2.17
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 17411694
(2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26383352
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 46561134
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate
CID 51485336
2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
CID 9093988
1-[3-[4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 112765862

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 42927804) is 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)C(=O)N3CCc4ccccc43)CC2)c1.
What is the InChIKey of 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is XMPJNHSKBVJTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-17(23(28)26-11-10-19-6-3-4-9-22(19)26)24-12-14-25(15-13-24)31(29,30)21-8-5-7-20(16-21)18(2)27/h3-9,16-17H,10-15H2,1-2H3.
What are the key properties of 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 441.55 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 42927804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).