N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C18H24N4O5S2 — CID 647790

IUPACN,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1
InChIInChI=1S/C18H24N4O5S2/c1-3-22(4-2)29(24,25)15-7-5-14(6-8-15)17-19-20-18(27-17)28-13-16(23)21-9-11-26-12-10-21/h5-8H,3-4,9-13H2,1-2H3
InChIKeyLEFQUFSRGTYIEU-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.72
Rot. Bonds8

About N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide

N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 647790) has the molecular formula C18H24N4O5S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID647790
Molecular FormulaC18H24N4O5S2
Molecular Weight440.55 g/mol
Exact Mass440.12
IUPAC NameN,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1
InChIInChI=1S/C18H24N4O5S2/c1-3-22(4-2)29(24,25)15-7-5-14(6-8-15)17-19-20-18(27-17)28-13-16(23)21-9-11-26-12-10-21/h5-8H,3-4,9-13H2,1-2H3
InChIKeyLEFQUFSRGTYIEU-UHFFFAOYSA-N
XLogP1.72
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(1,3,4-Oxadiazol-2-yl)phenyl]sulfonylmorpholine
CID 2408761
2-[(5-Phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 865292
1-(4-[1,3,4]Oxadiazol-2-yl-benzenesulfonyl)-piperidine
CID 1519125
2-[[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 2155692
2-[[5-(3-Methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 24687785
N,N-Diethyl-4-[5-(5-p-tolyl-[1,3,4]oxadiazol-2-ylmethylsulfanyl)-[1,3,4]oxadiazol-2-yl]-benzenesulfonamide
CID 647628
2-(4-Methyl-benzylsulfanyl)-5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazole
CID 648399
{5-[4-(Piperidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetic acid methyl ester
CID 648859
1-(2-Fluoro-phenyl)-2-{5-[4-(morpholine-4-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-ethanone
CID 650831
N,N-Diethyl-4-[5-(5-phenyl-[1,3,4]oxadiazol-2-ylmethylsulfanyl)-[1,3,4]oxadiazol-2-yl]-benzenesulfonamide
CID 651687
1-(4-Methoxy-phenyl)-2-{5-[4-(morpholine-4-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-ethanone
CID 653411
2-Phenyl-5-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 656023

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 647790) is N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3CCOCC3)o2)cc1.
What is the InChIKey of N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is LEFQUFSRGTYIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S2/c1-3-22(4-2)29(24,25)15-7-5-14(6-8-15)17-19-20-18(27-17)28-13-16(23)21-9-11-26-12-10-21/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 440.55 g/mol, XLogP of 1.72, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 647790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).