1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C22H20N4O5S2 — CID 3178108

IUPAC1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N4O5S2/c27-20(18-13-23-19-4-2-1-3-17(18)19)14-32-22-25-24-21(31-22)15-5-7-16(8-6-15)33(28,29)26-9-11-30-12-10-26/h1-8,13,23H,9-12,14H2
InChIKeyLHGJTQBDEIQFBN-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.21
Rot. Bonds7

About 1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 3178108) has the molecular formula C22H20N4O5S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID3178108
Molecular FormulaC22H20N4O5S2
Molecular Weight484.56 g/mol
Exact Mass484.09
IUPAC Name1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N4O5S2/c27-20(18-13-23-19-4-2-1-3-17(18)19)14-32-22-25-24-21(31-22)15-5-7-16(8-6-15)33(28,29)26-9-11-30-12-10-26/h1-8,13,23H,9-12,14H2
InChIKeyLHGJTQBDEIQFBN-UHFFFAOYSA-N
XLogP3.21
TPSA118.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 3178108) is 1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is LHGJTQBDEIQFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S2/c27-20(18-13-23-19-4-2-1-3-17(18)19)14-32-22-25-24-21(31-22)15-5-7-16(8-6-15)33(28,29)26-9-11-30-12-10-26/h1-8,13,23H,9-12,14H2.
What are the key properties of 1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 484.56 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 3178108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).