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

C23H25N3O4S — CID 1000772

IUPAC(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)c1C
InChIInChI=1S/C23H25N3O4S/c1-15(2)19-8-5-18(6-9-19)7-14-22(27)24-20-10-12-21(13-11-20)31(28,29)26-23-16(3)17(4)25-30-23/h5-15,26H,1-4H3,(H,24,27)/b14-7+
InChIKeyFDIILZXGDJKVHJ-VGOFMYFVSA-N
MW439.54 g/mol
LogP4.87
Rot. Bonds7

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

(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 1000772) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID1000772
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)c1C
InChIInChI=1S/C23H25N3O4S/c1-15(2)19-8-5-18(6-9-19)7-14-22(27)24-20-10-12-21(13-11-20)31(28,29)26-23-16(3)17(4)25-30-23/h5-15,26H,1-4H3,(H,24,27)/b14-7+
InChIKeyFDIILZXGDJKVHJ-VGOFMYFVSA-N
XLogP4.87
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.87
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-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 1000772) is (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)c1C.
What is the InChIKey of (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is FDIILZXGDJKVHJ-VGOFMYFVSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-15(2)19-8-5-18(6-9-19)7-14-22(27)24-20-10-12-21(13-11-20)31(28,29)26-23-16(3)17(4)25-30-23/h5-15,26H,1-4H3,(H,24,27)/b14-7+.
What are the key properties of (E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 439.54 g/mol, XLogP of 4.87, 7 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-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 1000772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).