2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one

C18H26N2O4S — CID 19258917

IUPAC2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C18H26N2O4S/c1-3-14(4-2)18(21)20-8-7-15-13-16(5-6-17(15)20)25(22,23)19-9-11-24-12-10-19/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyVJPITNQUBPXEHR-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.03
Rot. Bonds5

About 2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one

2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 19258917) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
PubChem CID19258917
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCCC(CC)C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C18H26N2O4S/c1-3-14(4-2)18(21)20-8-7-15-13-16(5-6-17(15)20)25(22,23)19-9-11-24-12-10-19/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKeyVJPITNQUBPXEHR-UHFFFAOYSA-N
XLogP2.03
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one
CID 19258890
4-[(1-ethylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]morpholine
CID 19258973
N,N-dimethyl-4-(5-morpholin-4-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 19258985
(3-bromophenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258901
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine
CID 41249274
(5-chloro-2-methoxyphenyl)-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 19258880
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 55661323
(E)-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 19258980
1-[5-(2-chloroethyl)-2,3-dihydroindol-1-yl]-2-ethylbutan-1-one
CID 82260508
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]propan-2-one
CID 110665636
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 53058948

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one (CID 19258917) is 2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one is CCC(CC)C(=O)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is VJPITNQUBPXEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-3-14(4-2)18(21)20-8-7-15-13-16(5-6-17(15)20)25(22,23)19-9-11-24-12-10-19/h5-6,13-14H,3-4,7-12H2,1-2H3.
What are the key properties of 2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one?
2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 366.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-morpholin-4-ylsulfonyl-2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 19258917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).