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

C23H27N5O3S — CID 19023013

IUPACN-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(Cc3nc(-c4ccc(CNS(C)(=O)=O)cc4)no3)cc12
InChIInChI=1S/C23H27N5O3S/c1-28(2)11-10-19-15-24-21-9-6-17(12-20(19)21)13-22-26-23(27-31-22)18-7-4-16(5-8-18)14-25-32(3,29)30/h4-9,12,15,24-25H,10-11,13-14H2,1-3H3
InChIKeyBSUXVYMZIJOZFA-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.96
Rot. Bonds9

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

N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide (PubChem CID 19023013) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
PubChem CID19023013
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(Cc3nc(-c4ccc(CNS(C)(=O)=O)cc4)no3)cc12
InChIInChI=1S/C23H27N5O3S/c1-28(2)11-10-19-15-24-21-9-6-17(12-20(19)21)13-22-26-23(27-31-22)18-7-4-16(5-8-18)14-25-32(3,29)30/h4-9,12,15,24-25H,10-11,13-14H2,1-3H3
InChIKeyBSUXVYMZIJOZFA-UHFFFAOYSA-N
XLogP2.96
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide (CID 19023013) is N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide is CN(C)CCc1c[nH]c2ccc(Cc3nc(-c4ccc(CNS(C)(=O)=O)cc4)no3)cc12.
What is the InChIKey of N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is BSUXVYMZIJOZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-28(2)11-10-19-15-24-21-9-6-17(12-20(19)21)13-22-26-23(27-31-22)18-7-4-16(5-8-18)14-25-32(3,29)30/h4-9,12,15,24-25H,10-11,13-14H2,1-3H3.
What are the key properties of N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide?
N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 19023013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).