(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide

C20H19N3O4S — CID 2319873

IUPAC(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1C
InChIInChI=1S/C20H19N3O4S/c1-14-15(2)22-27-20(14)23-28(25,26)18-11-9-17(10-12-18)21-19(24)13-8-16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,21,24)/b13-8+
InChIKeyFKCVKMKOKFHBQQ-MDWZMJQESA-N
MW397.46 g/mol
LogP3.74
Rot. Bonds6

About (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide

(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 2319873) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
PubChem CID2319873
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1C
InChIInChI=1S/C20H19N3O4S/c1-14-15(2)22-27-20(14)23-28(25,26)18-11-9-17(10-12-18)21-19(24)13-8-16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,21,24)/b13-8+
InChIKeyFKCVKMKOKFHBQQ-MDWZMJQESA-N
XLogP3.74
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide (CID 2319873) is (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1C.
What is the InChIKey of (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is FKCVKMKOKFHBQQ-MDWZMJQESA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-14-15(2)22-27-20(14)23-28(25,26)18-11-9-17(10-12-18)21-19(24)13-8-16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,21,24)/b13-8+.
What are the key properties of (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 397.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 2319873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).