N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C22H22N4O4S2 — CID 1168045

IUPACN,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C22H22N4O4S2/c1-3-26(4-2)32(28,29)16-11-9-15(10-12-16)21-24-25-22(30-21)31-14-20(27)18-13-23-19-8-6-5-7-17(18)19/h5-13,23H,3-4,14H2,1-2H3
InChIKeySTRJKAFNFGMXGK-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.22
Rot. Bonds9

About N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide

N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 1168045) has the molecular formula C22H22N4O4S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID1168045
Molecular FormulaC22H22N4O4S2
Molecular Weight470.58 g/mol
Exact Mass470.11
IUPAC NameN,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C22H22N4O4S2/c1-3-26(4-2)32(28,29)16-11-9-15(10-12-16)21-24-25-22(30-21)31-14-20(27)18-13-23-19-8-6-5-7-17(18)19/h5-13,23H,3-4,14H2,1-2H3
InChIKeySTRJKAFNFGMXGK-UHFFFAOYSA-N
XLogP4.22
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-[[5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1168011
N,N-diethyl-3-[5-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 2689754
N-[4-(diethylsulfamoyl)phenyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1153099
2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(1H-indol-3-yl)ethanone
CID 3948030
2-[[5-[3-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7940167
propan-2-yl 2-[[5-[3-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 7807654
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3,4,5-tetramethylphenyl)ethanone
CID 135869360
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-(diethylsulfamoyl)benzoate
CID 2557318
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2689631
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 858962
1-(2-chlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7816154
(2S)-1-(1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylethanone
CID 40847092

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 1168045) is N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)o2)cc1.
What is the InChIKey of N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is STRJKAFNFGMXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S2/c1-3-26(4-2)32(28,29)16-11-9-15(10-12-16)21-24-25-22(30-21)31-14-20(27)18-13-23-19-8-6-5-7-17(18)19/h5-13,23H,3-4,14H2,1-2H3.
What are the key properties of N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 470.58 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[5-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 1168045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).