N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide

C20H23N3O3S — CID 53055823

IUPACN-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H23N3O3S/c1-15(2)16-9-11-18(12-10-16)27(24,25)23(3)14-13-19-21-20(26-22-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyCSZDXWWENUASLG-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.72
Rot. Bonds7

About N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide

N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 53055823) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID53055823
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H23N3O3S/c1-15(2)16-9-11-18(12-10-16)27(24,25)23(3)14-13-19-21-20(26-22-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3
InChIKeyCSZDXWWENUASLG-UHFFFAOYSA-N
XLogP3.72
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 53055986
N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide
CID 53055827
4-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53056040
N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055948
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
N-[2-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methoxy-N-methylbenzenesulfonamide
CID 53055889
N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53056018
4-cyclohexyl-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055927
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
4-methoxy-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 129485750
N-methyl-4-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 133482418

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide (CID 53055823) is N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is CSZDXWWENUASLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-15(2)16-9-11-18(12-10-16)27(24,25)23(3)14-13-19-21-20(26-22-19)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide?
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 53055823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).