1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C23H24N4O4S2 — CID 648808

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1
InChIInChI=1S/C23H24N4O4S2/c1-16-14-18-6-2-3-7-20(18)27(16)21(28)15-32-23-25-24-22(31-23)17-8-10-19(11-9-17)33(29,30)26-12-4-5-13-26/h2-3,6-11,16H,4-5,12-15H2,1H3
InChIKeyBOLBJHLJTKLMGX-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.59
Rot. Bonds6

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 648808) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID648808
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1
InChIInChI=1S/C23H24N4O4S2/c1-16-14-18-6-2-3-7-20(18)27(16)21(28)15-32-23-25-24-22(31-23)17-8-10-19(11-9-17)33(29,30)26-12-4-5-13-26/h2-3,6-11,16H,4-5,12-15H2,1H3
InChIKeyBOLBJHLJTKLMGX-UHFFFAOYSA-N
XLogP3.59
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-{5-[2-(2,3-Dihydro-indol-1-yl)-2-oxo-ethylsulfanyl]-[1,3,4]oxadiazol-2-yl}-N,N-diethyl-benzenesulfonamide
CID 653473
N-(3,5-Dimethyl-phenyl)-2-{5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 647708
N-(3-Acetyl-phenyl)-2-{5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 648484
N-(3,4-dimethylphenyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 650562
N-(4-Diethylsulfamoyl-phenyl)-2-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 653085
N,N-Diethyl-4-{5-[2-(2-methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethylsulfanyl]-[1,3,4]oxadiazol-2-yl}-benzenesulfonamide
CID 654345
N,N-Diethyl-2-{5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 1152538
N-(4-fluorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162654093
N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162660744
N-phenyl-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162666875
2-{5-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-N-m-tolyl-acetamide
CID 648364
2-[5-(4-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide
CID 650522

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 648808) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is CC1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is BOLBJHLJTKLMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-16-14-18-6-2-3-7-20(18)27(16)21(28)15-32-23-25-24-22(31-23)17-8-10-19(11-9-17)33(29,30)26-12-4-5-13-26/h2-3,6-11,16H,4-5,12-15H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 484.60 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 648808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).