N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide

C18H19N3O5S — CID 48730206

IUPACN,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCn2c(-c3ccccc3)noc2=O)cc1
InChIInChI=1S/C18H19N3O5S/c1-20(2)27(23,24)16-10-8-15(9-11-16)25-13-12-21-17(19-26-18(21)22)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeyCWEXTZODLPQMAA-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.83
Rot. Bonds7

About N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide

N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide (PubChem CID 48730206) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide
PubChem CID48730206
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCn2c(-c3ccccc3)noc2=O)cc1
InChIInChI=1S/C18H19N3O5S/c1-20(2)27(23,24)16-10-8-15(9-11-16)25-13-12-21-17(19-26-18(21)22)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
InChIKeyCWEXTZODLPQMAA-UHFFFAOYSA-N
XLogP1.83
TPSA94.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
CID 17421191
4-(2-fluoroethyl)-3-phenyl-1,2,4-oxadiazol-5-one
CID 71871872
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
N,N-dimethyl-4-[2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide
CID 55496828
N,N-dimethyl-4-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 95142828
4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 17443923
4-[2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)ethoxy]benzonitrile
CID 146082759
N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide
CID 24557123
4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24558209
N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
CID 75375799
4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 47094628

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide (CID 48730206) is N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCCn2c(-c3ccccc3)noc2=O)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide?
The InChIKey is CWEXTZODLPQMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-20(2)27(23,24)16-10-8-15(9-11-16)25-13-12-21-17(19-26-18(21)22)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide?
N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide is sourced from PubChem (CID 48730206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).