N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide

C18H19N3O3S2 — CID 71590130

IUPACN-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2nnc(SCc3ccccc3)o2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13-8-10-16(11-9-13)26(22,23)21-14(2)17-19-20-18(24-17)25-12-15-6-4-3-5-7-15/h3-11,14,21H,12H2,1-2H3
InChIKeyUDKCEWNIVHCPPS-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.71
Rot. Bonds7

About N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide

N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 71590130) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID71590130
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2nnc(SCc3ccccc3)o2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13-8-10-16(11-9-13)26(22,23)21-14(2)17-19-20-18(24-17)25-12-15-6-4-3-5-7-15/h3-11,14,21H,12H2,1-2H3
InChIKeyUDKCEWNIVHCPPS-UHFFFAOYSA-N
XLogP3.71
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-(4-Fluorobenzylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl]-4-methylbenzenesulphonamide
CID 53484188
4-chloro-N-[1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanyl-propyl]benzenesulfonamide
CID 53484192
N-[1-(5-(4-Fluorobenzylthio)-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-4-methylbenzenesulphonamide
CID 71590162
N-[1-(5-(4-Fluorobenzylthio)-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulphonamide
CID 71590208
N-[1-(5-(4-Fluorobenzylthio)-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulphonamide
CID 71590210
N-[1-(5-(4-Bromobenzylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl]-4-methylbenzenesulphonamide
CID 53484187
N-[1-(5-(4-Chlorobenzylthio)-1,3,4-oxadiazol-2-yl)-3-(methylthio)propyl]-4-methylbenzenesulphonamide
CID 53484189
N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-3-methylsulfanyl-propyl]-4-chloro-benzenesulfonamide
CID 53484190
4-chloro-N-[1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-3-methylsulfanyl-propyl]benzenesulfonamide
CID 53484205
N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenyl-ethyl]-4-methyl-benzenesulfonamide
CID 53484206
N-[1-(5-(4-Chlorobenzylthio)-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulphonamide
CID 57498472
N-[1-(5-(4-Chlorobenzylthio)-1,3,4-oxadiazol-2-yl)ethyl]-4-chlorobenzenesulphonamide
CID 71590191

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide (CID 71590130) is N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)c2nnc(SCc3ccccc3)o2)cc1.
What is the InChIKey of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is UDKCEWNIVHCPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-13-8-10-16(11-9-13)26(22,23)21-14(2)17-19-20-18(24-17)25-12-15-6-4-3-5-7-15/h3-11,14,21H,12H2,1-2H3.
What are the key properties of N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide?
N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 389.50 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71590130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).