N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

C17H20N4O4S — CID 103598328

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(C=CC(=O)NC2(c3noc(C)n3)CCC2)cc1
InChIInChI=1S/C17H20N4O4S/c1-12-19-16(21-25-12)17(10-3-11-17)20-15(22)9-6-13-4-7-14(8-5-13)26(23,24)18-2/h4-9,18H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyHOYZZCGETLJNBM-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.49
Rot. Bonds6

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 103598328) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
PubChem CID103598328
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCNS(=O)(=O)c1ccc(C=CC(=O)NC2(c3noc(C)n3)CCC2)cc1
InChIInChI=1S/C17H20N4O4S/c1-12-19-16(21-25-12)17(10-3-11-17)20-15(22)9-6-13-4-7-14(8-5-13)26(23,24)18-2/h4-9,18H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyHOYZZCGETLJNBM-UHFFFAOYSA-N
XLogP1.49
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]prop-2-enamide
CID 55980856
(E)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-3-naphthalen-1-ylprop-2-enamide
CID 31164473
(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]prop-2-enamide
CID 47018887
4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 60559839
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide
CID 55980982
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55520393
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 60559986
(E)-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 86938904
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 71864405
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
CID 166403701
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55622088

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide (CID 103598328) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide is CNS(=O)(=O)c1ccc(C=CC(=O)NC2(c3noc(C)n3)CCC2)cc1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is HOYZZCGETLJNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-12-19-16(21-25-12)17(10-3-11-17)20-15(22)9-6-13-4-7-14(8-5-13)26(23,24)18-2/h4-9,18H,3,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 376.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 103598328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).