3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C23H28N2O4S — CID 133199873

IUPAC3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C23H28N2O4S/c1-17-15-18-7-3-4-8-21(18)25(17)23(26)12-9-19-16-20(10-11-22(19)29-2)30(27,28)24-13-5-6-14-24/h3-4,7-8,10-11,16-17H,5-6,9,12-15H2,1-2H3
InChIKeyTZIANEYFXCUCMF-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.39
Rot. Bonds6

About 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 133199873) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID133199873
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C23H28N2O4S/c1-17-15-18-7-3-4-8-21(18)25(17)23(26)12-9-19-16-20(10-11-22(19)29-2)30(27,28)24-13-5-6-14-24/h3-4,7-8,10-11,16-17H,5-6,9,12-15H2,1-2H3
InChIKeyTZIANEYFXCUCMF-UHFFFAOYSA-N
XLogP3.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 133199873) is 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is TZIANEYFXCUCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-17-15-18-7-3-4-8-21(18)25(17)23(26)12-9-19-16-20(10-11-22(19)29-2)30(27,28)24-13-5-6-14-24/h3-4,7-8,10-11,16-17H,5-6,9,12-15H2,1-2H3.
What are the key properties of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 428.55 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 133199873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).