4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide

C22H34N4O4S — CID 55669247

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CCCc2nc(C(C)(C)C)no2)cc1
InChIInChI=1S/C22H34N4O4S/c1-7-26(8-2)31(28,29)18-14-12-17(13-15-18)16(3)23-19(27)10-9-11-20-24-21(25-30-20)22(4,5)6/h12-16H,7-11H2,1-6H3,(H,23,27)
InChIKeyACKKKVGCGWSQRL-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.60
Rot. Bonds10

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide (PubChem CID 55669247) has the molecular formula C22H34N4O4S and a molecular weight of 450.61 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide
PubChem CID55669247
Molecular FormulaC22H34N4O4S
Molecular Weight450.61 g/mol
Exact Mass450.23
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CCCc2nc(C(C)(C)C)no2)cc1
InChIInChI=1S/C22H34N4O4S/c1-7-26(8-2)31(28,29)18-14-12-17(13-15-18)16(3)23-19(27)10-9-11-20-24-21(25-30-20)22(4,5)6/h12-16H,7-11H2,1-6H3,(H,23,27)
InChIKeyACKKKVGCGWSQRL-UHFFFAOYSA-N
XLogP3.60
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide with MolForge

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Related Compounds

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(4-methylphenyl)butanamide
CID 55773914
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 112765398
tert-butyl N-[3-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-3-oxopropyl]carbamate
CID 9223924
N-[(2S)-1-aminopropan-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120507692
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 55649353
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
3-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119686834
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 78869966

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide (CID 55669247) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CCCc2nc(C(C)(C)C)no2)cc1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide?
The InChIKey is ACKKKVGCGWSQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4S/c1-7-26(8-2)31(28,29)18-14-12-17(13-15-18)16(3)23-19(27)10-9-11-20-24-21(25-30-20)22(4,5)6/h12-16H,7-11H2,1-6H3,(H,23,27).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide has a molecular weight of 450.61 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 55669247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).