[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide

C22H25N5O3S — CID 19023004

IUPAC[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(Cc3nc(-c4ccc(CS(N)(=O)=O)cc4)no3)cc12
InChIInChI=1S/C22H25N5O3S/c1-27(2)10-9-18-13-24-20-8-5-16(11-19(18)20)12-21-25-22(26-30-21)17-6-3-15(4-7-17)14-31(23,28)29/h3-8,11,13,24H,9-10,12,14H2,1-2H3,(H2,23,28,29)
InChIKeyHLASJCWOXFJYMI-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.70
Rot. Bonds8

About [4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide

[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide (PubChem CID 19023004) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is [4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
PubChem CID19023004
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(Cc3nc(-c4ccc(CS(N)(=O)=O)cc4)no3)cc12
InChIInChI=1S/C22H25N5O3S/c1-27(2)10-9-18-13-24-20-8-5-16(11-19(18)20)12-21-25-22(26-30-21)17-6-3-15(4-7-17)14-31(23,28)29/h3-8,11,13,24H,9-10,12,14H2,1-2H3,(H2,23,28,29)
InChIKeyHLASJCWOXFJYMI-UHFFFAOYSA-N
XLogP2.70
TPSA118.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The IUPAC name of [4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide (CID 19023004) is [4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for [4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide is CN(C)CCc1c[nH]c2ccc(Cc3nc(-c4ccc(CS(N)(=O)=O)cc4)no3)cc12.
What is the InChIKey of [4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
The InChIKey is HLASJCWOXFJYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-27(2)10-9-18-13-24-20-8-5-16(11-19(18)20)12-21-25-22(26-30-21)17-6-3-15(4-7-17)14-31(23,28)29/h3-8,11,13,24H,9-10,12,14H2,1-2H3,(H2,23,28,29).
What are the key properties of [4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide?
[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide has a molecular weight of 439.54 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 19023004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).