[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

C23H26N4O6S — CID 42982566

IUPAC[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C23H26N4O6S/c1-4-27(5-2)34(30,31)19-12-10-18(11-13-19)23(29)24-14-21(28)32-15-20-25-22(26-33-20)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,24,29)
InChIKeyVHKKYODMQYFIOO-UHFFFAOYSA-N
MW486.55 g/mol
LogP2.55
Rot. Bonds10

About [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 42982566) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
PubChem CID42982566
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C23H26N4O6S/c1-4-27(5-2)34(30,31)19-12-10-18(11-13-19)23(29)24-14-21(28)32-15-20-25-22(26-33-20)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,24,29)
InChIKeyVHKKYODMQYFIOO-UHFFFAOYSA-N
XLogP2.55
TPSA131.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate with MolForge

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Related Compounds

[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512416
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 46516721
(3-phenyl-1,2-oxazol-5-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55474493
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304005
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 30026975
(5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55419195
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16533367
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 43028314
(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 46548136
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356727
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 31142462

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (CID 42982566) is [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2nc(-c3ccc(C)cc3)no2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is VHKKYODMQYFIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-4-27(5-2)34(30,31)19-12-10-18(11-13-19)23(29)24-14-21(28)32-15-20-25-22(26-33-20)17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,24,29).
What are the key properties of [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 486.55 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 42982566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).