(E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide

C20H21N3O3S — CID 59432846

IUPAC(E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide
SMILESCC(C)=C/C(N)=N/S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H21N3O3S/c1-15(2)14-19(21)23-27(25,26)18-11-9-17(10-12-18)22-20(24)13-8-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,21,23)(H,22,24)/b13-8+
InChIKeyVGWOJVGRHIFPEH-MDWZMJQESA-N
MW383.47 g/mol
LogP3.35
Rot. Bonds6

About (E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide

(E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide (PubChem CID 59432846) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is (E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide
PubChem CID59432846
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name(E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide
SMILESCC(C)=C/C(N)=N/S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H21N3O3S/c1-15(2)14-19(21)23-27(25,26)18-11-9-17(10-12-18)22-20(24)13-8-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,21,23)(H,22,24)/b13-8+
InChIKeyVGWOJVGRHIFPEH-MDWZMJQESA-N
XLogP3.35
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
(E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 72945216
(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 40597066
(Z)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 2179282
3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1334857
N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 4928891
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 1185492
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1106549
(E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 8781348

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide (CID 59432846) is (E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide is CC(C)=C/C(N)=N/S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide?
The InChIKey is VGWOJVGRHIFPEH-MDWZMJQESA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15(2)14-19(21)23-27(25,26)18-11-9-17(10-12-18)22-20(24)13-8-16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,21,23)(H,22,24)/b13-8+.
What are the key properties of (E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide?
(E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide has a molecular weight of 383.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 59432846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).