N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide

C18H23N5O3S — CID 53055938

IUPACN,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1cccc(-c2nc(CCN(C)S(=O)(=O)c3c(C)nn(C)c3C)no2)c1
InChIInChI=1S/C18H23N5O3S/c1-12-7-6-8-15(11-12)18-19-16(21-26-18)9-10-22(4)27(24,25)17-13(2)20-23(5)14(17)3/h6-8,11H,9-10H2,1-5H3
InChIKeyKYZLCIQESYVFPW-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.26
Rot. Bonds6

About N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide

N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 53055938) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID53055938
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1cccc(-c2nc(CCN(C)S(=O)(=O)c3c(C)nn(C)c3C)no2)c1
InChIInChI=1S/C18H23N5O3S/c1-12-7-6-8-15(11-12)18-19-16(21-26-18)9-10-22(4)27(24,25)17-13(2)20-23(5)14(17)3/h6-8,11H,9-10H2,1-5H3
InChIKeyKYZLCIQESYVFPW-UHFFFAOYSA-N
XLogP2.26
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055948
N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 46290837
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-(3-methylphenyl)pyrazole-4-sulfonamide
CID 20855724
5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide
CID 53055702
N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 62064016
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 53055823
N-methyl-3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079264
3-(4,4-dimethylpentyl)-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 59395695
(3S,4R)-1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 79420529
N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 55434480
2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055845

Frequently Asked Questions

What is the IUPAC name of N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide (CID 53055938) is N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide is Cc1cccc(-c2nc(CCN(C)S(=O)(=O)c3c(C)nn(C)c3C)no2)c1.
What is the InChIKey of N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is KYZLCIQESYVFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-12-7-6-8-15(11-12)18-19-16(21-26-18)9-10-22(4)27(24,25)17-13(2)20-23(5)14(17)3/h6-8,11H,9-10H2,1-5H3.
What are the key properties of N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide?
N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3,5-tetramethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 53055938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).