(E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide

C15H15N3O4S — CID 132969952

IUPAC(E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide
SMILESC/C(=C\C(=O)NS(=O)(=O)c1cccc(-c2nnco2)c1)C1CC1
InChIInChI=1S/C15H15N3O4S/c1-10(11-5-6-11)7-14(19)18-23(20,21)13-4-2-3-12(8-13)15-17-16-9-22-15/h2-4,7-9,11H,5-6H2,1H3,(H,18,19)/b10-7+
InChIKeyTUJNIBLDDSRXFV-JXMROGBWSA-N
MW333.37 g/mol
LogP1.90
Rot. Bonds5

About (E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide

(E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide (PubChem CID 132969952) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is (E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide
PubChem CID132969952
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name(E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide
SMILESC/C(=C\C(=O)NS(=O)(=O)c1cccc(-c2nnco2)c1)C1CC1
InChIInChI=1S/C15H15N3O4S/c1-10(11-5-6-11)7-14(19)18-23(20,21)13-4-2-3-12(8-13)15-17-16-9-22-15/h2-4,7-9,11H,5-6H2,1H3,(H,18,19)/b10-7+
InChIKeyTUJNIBLDDSRXFV-JXMROGBWSA-N
XLogP1.90
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
CID 99708540
trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
CID 99708524
3-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)but-2-enamide
CID 126802014
(2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide
CID 97025860
2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 2408760
1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone
CID 43770533
2-[3-[[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]sulfonyl]phenyl]-1,3,4-oxadiazole
CID 124726979
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
CID 55965004
2-(3-methylphenyl)-1,3,4-oxadiazole
CID 22937238
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033580
[(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol
CID 126798770

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide?
The IUPAC name of (E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide (CID 132969952) is (E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide.
What is the SMILES notation for (E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide?
The canonical SMILES for (E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide is C/C(=C\C(=O)NS(=O)(=O)c1cccc(-c2nnco2)c1)C1CC1.
What is the InChIKey of (E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide?
The InChIKey is TUJNIBLDDSRXFV-JXMROGBWSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-10(11-5-6-11)7-14(19)18-23(20,21)13-4-2-3-12(8-13)15-17-16-9-22-15/h2-4,7-9,11H,5-6H2,1H3,(H,18,19)/b10-7+.
What are the key properties of (E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide?
(E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide has a molecular weight of 333.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide is sourced from PubChem (CID 132969952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).