N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide

C21H22N4O4S — CID 46290837

IUPACN,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCc1cccc(-c2nc(CCN(C)S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)no2)c1
InChIInChI=1S/C21H22N4O4S/c1-14-5-4-6-15(11-14)21-22-19(23-29-21)9-10-24(2)30(27,28)17-7-8-18-16(12-17)13-20(26)25(18)3/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyLFXQEARYMZKWHU-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.43
Rot. Bonds6

About N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide

N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide (PubChem CID 46290837) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide
PubChem CID46290837
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCc1cccc(-c2nc(CCN(C)S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)no2)c1
InChIInChI=1S/C21H22N4O4S/c1-14-5-4-6-15(11-14)21-22-19(23-29-21)9-10-24(2)30(27,28)17-7-8-18-16(12-17)13-20(26)25(18)3/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyLFXQEARYMZKWHU-UHFFFAOYSA-N
XLogP2.43
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055948
4-cyclohexyl-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055927
N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide
CID 53055938
N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53056018
N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide
CID 110724844
N,1-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
CID 110871146
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 53055823
4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055857
4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055844
1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 71823766
4-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53056040
N-methyl-3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079264

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide (CID 46290837) is N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide is Cc1cccc(-c2nc(CCN(C)S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)no2)c1.
What is the InChIKey of N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is LFXQEARYMZKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-14-5-4-6-15(11-14)21-22-19(23-29-21)9-10-24(2)30(27,28)17-7-8-18-16(12-17)13-20(26)25(18)3/h4-8,11-12H,9-10,13H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide?
N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 426.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 46290837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).