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

C19H23N3O3S — CID 26591286

IUPAC(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-3-22(4-2)26(24,25)18-10-7-16(8-11-18)9-12-19(23)21-15-17-6-5-13-20-14-17/h5-14H,3-4,15H2,1-2H3,(H,21,23)/b12-9+
InChIKeyOBPCLDYTPOGOAL-FMIVXFBMSA-N
MW373.48 g/mol
LogP2.44
Rot. Bonds8

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

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 26591286) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID26591286
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H23N3O3S/c1-3-22(4-2)26(24,25)18-10-7-16(8-11-18)9-12-19(23)21-15-17-6-5-13-20-14-17/h5-14H,3-4,15H2,1-2H3,(H,21,23)/b12-9+
InChIKeyOBPCLDYTPOGOAL-FMIVXFBMSA-N
XLogP2.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.44
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)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
CID 16577485
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
CID 24584151
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
CID 24641034
(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
(E)-N-[(2R)-butan-2-yl]-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 8712954
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
(E)-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 78848236
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 72690429

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 26591286) is (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)NCc2cccnc2)cc1.
What is the InChIKey of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is OBPCLDYTPOGOAL-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-22(4-2)26(24,25)18-10-7-16(8-11-18)9-12-19(23)21-15-17-6-5-13-20-14-17/h5-14H,3-4,15H2,1-2H3,(H,21,23)/b12-9+.
What are the key properties of (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide?
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 373.48 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 26591286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).