(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide

C19H28N2O3S — CID 17468520

IUPAC(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-4-21(5-2)25(23,24)18-13-10-16(11-14-18)12-15-19(22)20(3)17-8-6-7-9-17/h10-15,17H,4-9H2,1-3H3/b15-12+
InChIKeyJTSLGGYNKVICLT-NTCAYCPXSA-N
MW364.51 g/mol
LogP3.13
Rot. Bonds7

About (E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide

(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide (PubChem CID 17468520) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
PubChem CID17468520
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-4-21(5-2)25(23,24)18-13-10-16(11-14-18)12-15-19(22)20(3)17-8-6-7-9-17/h10-15,17H,4-9H2,1-3H3/b15-12+
InChIKeyJTSLGGYNKVICLT-NTCAYCPXSA-N
XLogP3.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-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

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 6116132
cyclohexyl 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 75981739
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclohexyl-N-methylprop-2-enamide
CID 55334511
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470
(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide
CID 16558543
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)prop-2-enamide
CID 55613311
(E)-N-[(2R)-butan-2-yl]-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 8712954
N,N-diethyl-4-[(E)-3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]prop-1-enyl]benzenesulfonamide
CID 55784142
4-[(E)-3-(2-cyclohexylimino-1-pyridinyl)-3-oxoprop-1-enyl]-N,N-diethylbenzenesulfonamide
CID 16605071
4-[(E)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxoprop-1-enyl]-N,N-diethylbenzenesulfonamide
CID 7420193

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide (CID 17468520) is (E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(C)C2CCCC2)cc1.
What is the InChIKey of (E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide?
The InChIKey is JTSLGGYNKVICLT-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-4-21(5-2)25(23,24)18-13-10-16(11-14-18)12-15-19(22)20(3)17-8-6-7-9-17/h10-15,17H,4-9H2,1-3H3/b15-12+.
What are the key properties of (E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide?
(E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide has a molecular weight of 364.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyl-3-[4-(diethylsulfamoyl)phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 17468520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).