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

C16H22N2O3S — CID 24641034

IUPAC(E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C16H22N2O3S/c1-4-13-17-16(19)12-9-14-7-10-15(11-8-14)22(20,21)18(5-2)6-3/h4,7-12H,1,5-6,13H2,2-3H3,(H,17,19)/b12-9+
InChIKeyQESUBAREQBMUSJ-FMIVXFBMSA-N
MW322.43 g/mol
LogP2.03
Rot. Bonds8

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

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide (PubChem CID 24641034) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
PubChem CID24641034
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C16H22N2O3S/c1-4-13-17-16(19)12-9-14-7-10-15(11-8-14)22(20,21)18(5-2)6-3/h4,7-12H,1,5-6,13H2,2-3H3,(H,17,19)/b12-9+
InChIKeyQESUBAREQBMUSJ-FMIVXFBMSA-N
XLogP2.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-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

(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
(E)-N-[(2R)-butan-2-yl]-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 8712954
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 72690429
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 26591286
3-[4-(diethylsulfamoyl)phenyl]-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618954
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-phenylsulfanylpropyl)prop-2-enamide
CID 26352530
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 51144295
(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 6143200
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 78780942
3-[4-(diethylsulfamoyl)phenyl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]prop-2-enamide
CID 55706454

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide (CID 24641034) is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide is C=CCNC(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide?
The InChIKey is QESUBAREQBMUSJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-4-13-17-16(19)12-9-14-7-10-15(11-8-14)22(20,21)18(5-2)6-3/h4,7-12H,1,5-6,13H2,2-3H3,(H,17,19)/b12-9+.
What are the key properties of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide?
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide has a molecular weight of 322.43 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 24641034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).