4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine

C22H28N2O5S2 — CID 41249274

IUPAC4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine
SMILESCC[C@H](C)c1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C22H28N2O5S2/c1-3-17(2)18-4-6-20(7-5-18)31(27,28)24-11-10-19-16-21(8-9-22(19)24)30(25,26)23-12-14-29-15-13-23/h4-9,16-17H,3,10-15H2,1-2H3/t17-/m0/s1
InChIKeyIGZBOOPQSPIPKK-KRWDZBQOSA-N
MW464.61 g/mol
LogP2.97
Rot. Bonds6

About 4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine

4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine (PubChem CID 41249274) has the molecular formula C22H28N2O5S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine
PubChem CID41249274
Molecular FormulaC22H28N2O5S2
Molecular Weight464.61 g/mol
Exact Mass464.14
IUPAC Name4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine
SMILESCC[C@H](C)c1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C22H28N2O5S2/c1-3-17(2)18-4-6-20(7-5-18)31(27,28)24-11-10-19-16-21(8-9-22(19)24)30(25,26)23-12-14-29-15-13-23/h4-9,16-17H,3,10-15H2,1-2H3/t17-/m0/s1
InChIKeyIGZBOOPQSPIPKK-KRWDZBQOSA-N
XLogP2.97
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine with MolForge

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Related Compounds

4-[(1-ethylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]morpholine
CID 19258973
2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
CID 19258917
3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
CID 19258890
(2S)-1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 9439886
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
1-[4-[(2R)-butan-2-yl]phenyl]-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]thiourea
CID 29057476
4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 935135
4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316149
1-[4-[(2R)-butan-2-yl]phenyl]-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 27087813
(2R)-2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]propanenitrile
CID 9288969
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]propanal
CID 174519680
N,N-dimethyl-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 31875101

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine?
The IUPAC name of 4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine (CID 41249274) is 4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine?
The canonical SMILES for 4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine is CC[C@H](C)c1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1.
What is the InChIKey of 4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine?
The InChIKey is IGZBOOPQSPIPKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N2O5S2/c1-3-17(2)18-4-6-20(7-5-18)31(27,28)24-11-10-19-16-21(8-9-22(19)24)30(25,26)23-12-14-29-15-13-23/h4-9,16-17H,3,10-15H2,1-2H3/t17-/m0/s1.
What are the key properties of 4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine?
4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine has a molecular weight of 464.61 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine is sourced from PubChem (CID 41249274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).