N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide

C16H22N4O5S — CID 75474717

IUPACN-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCOC(c2noc(-c3ccc(OC)cc3)n2)C1
InChIInChI=1S/C16H22N4O5S/c1-4-19(2)26(21,22)20-9-10-24-14(11-20)15-17-16(25-18-15)12-5-7-13(23-3)8-6-12/h5-8,14H,4,9-11H2,1-3H3
InChIKeyIROVYAUBMAJNDX-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.32
Rot. Bonds6

About N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide

N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide (PubChem CID 75474717) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide
PubChem CID75474717
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC NameN-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide
SMILESCCN(C)S(=O)(=O)N1CCOC(c2noc(-c3ccc(OC)cc3)n2)C1
InChIInChI=1S/C16H22N4O5S/c1-4-19(2)26(21,22)20-9-10-24-14(11-20)15-17-16(25-18-15)12-5-7-13(23-3)8-6-12/h5-8,14H,4,9-11H2,1-3H3
InChIKeyIROVYAUBMAJNDX-UHFFFAOYSA-N
XLogP1.32
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 75483942
1-[(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]butan-1-one
CID 97345130
N-ethyl-2-[(2R)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]acetamide
CID 97344606
[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone
CID 75474719
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine
CID 97344255
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine
CID 97344123
2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 75474712
(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-piperidin-1-ylsulfonylmorpholine
CID 97344792
(2S)-2-[5-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-N,N-dimethylmorpholine-4-sulfonamide
CID 124968540
(2R)-N,N-diethyl-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholine-4-sulfonamide
CID 125000431
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-(4-methoxyphenyl)sulfonylmorpholine
CID 155507407
(2R)-4-(2-methoxyethyl)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide?
The IUPAC name of N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide (CID 75474717) is N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide.
What is the SMILES notation for N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide?
The canonical SMILES for N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide is CCN(C)S(=O)(=O)N1CCOC(c2noc(-c3ccc(OC)cc3)n2)C1.
What is the InChIKey of N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide?
The InChIKey is IROVYAUBMAJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S/c1-4-19(2)26(21,22)20-9-10-24-14(11-20)15-17-16(25-18-15)12-5-7-13(23-3)8-6-12/h5-8,14H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide?
N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide has a molecular weight of 382.44 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide is sourced from PubChem (CID 75474717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).