N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide

C20H21N3O3S — CID 71904739

IUPACN-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-23(4-2)27(25,26)19-11-8-16(9-12-19)10-13-20(24)22-18-7-5-6-17(14-18)15-21/h5-14H,3-4H2,1-2H3,(H,22,24)
InChIKeyZBKSVKSZYLDXPB-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.24
Rot. Bonds7

About N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide

N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 71904739) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID71904739
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-23(4-2)27(25,26)19-11-8-16(9-12-19)10-13-20(24)22-18-7-5-6-17(14-18)15-21/h5-14H,3-4H2,1-2H3,(H,22,24)
InChIKeyZBKSVKSZYLDXPB-UHFFFAOYSA-N
XLogP3.24
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(diethylsulfamoyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 7759967
(E)-3-(3-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]prop-2-enamide
CID 78869823
(3-cyanophenyl)methyl (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 8815990
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 9245668
(E)-N-(4-acetamido-3-methylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 46551494
3-[4-(diethylsulfamoyl)phenyl]-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618954
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7760313
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
(E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 55336620
N-[3-(dimethylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3377274

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide (CID 71904739) is N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is ZBKSVKSZYLDXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-23(4-2)27(25,26)19-11-8-16(9-12-19)10-13-20(24)22-18-7-5-6-17(14-18)15-21/h5-14H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 383.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 71904739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).