(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide

C21H26N2O3S — CID 16558543

IUPAC(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-4-22(5-2)27(25,26)20-15-12-18(13-16-20)14-17-21(24)23(6-3)19-10-8-7-9-11-19/h7-17H,4-6H2,1-3H3/b17-14+
InChIKeyOVYYZGZJEXOIHN-SAPNQHFASA-N
MW386.52 g/mol
LogP3.78
Rot. Bonds8

About (E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide (PubChem CID 16558543) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide
PubChem CID16558543
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide
SMILESCCN(C(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-4-22(5-2)27(25,26)20-15-12-18(13-16-20)14-17-21(24)23(6-3)19-10-8-7-9-11-19/h7-17H,4-6H2,1-3H3/b17-14+
InChIKeyOVYYZGZJEXOIHN-SAPNQHFASA-N
XLogP3.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 17468520
(E)-3-(3-amino-4-methylphenyl)-N-ethyl-N-phenylprop-2-enamide
CID 39380514
N,N-diethyl-4-(N-phenylanilino)benzenesulfonamide
CID 20654617
(E)-N-[(2R)-butan-2-yl]-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 8712954
(E)-N-[2-(2-chlorophenoxy)ethyl]-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 26995573
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
CID 126607669
(2-anilino-2-oxoethyl) (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2579080
N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 72690429
(2-amino-2-oxo-1-phenylethyl) (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 16596571
3-[4-(diethylsulfamoyl)phenyl]-N-[(2-fluorophenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55919861
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
CID 38273268

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide (CID 16558543) is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide is CCN(C(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1.
What is the InChIKey of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide?
The InChIKey is OVYYZGZJEXOIHN-SAPNQHFASA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-22(5-2)27(25,26)20-15-12-18(13-16-20)14-17-21(24)23(6-3)19-10-8-7-9-11-19/h7-17H,4-6H2,1-3H3/b17-14+.
What are the key properties of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide?
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide has a molecular weight of 386.52 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide is sourced from PubChem (CID 16558543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).