(E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide

C19H21ClN2O4S — CID 108759033

IUPAC(E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-26-13-12-22-27(24,25)18-9-4-16(5-10-18)14-21-19(23)11-6-15-2-7-17(20)8-3-15/h2-11,22H,12-14H2,1H3,(H,21,23)/b11-6+
InChIKeyGWUZYWUODGRULU-IZZDOVSWSA-N
MW408.91 g/mol
LogP2.59
Rot. Bonds9

About (E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide (PubChem CID 108759033) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide
PubChem CID108759033
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name(E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-26-13-12-22-27(24,25)18-9-4-16(5-10-18)14-21-19(23)11-6-15-2-7-17(20)8-3-15/h2-11,22H,12-14H2,1H3,(H,21,23)/b11-6+
InChIKeyGWUZYWUODGRULU-IZZDOVSWSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-chlorophenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 25296226
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
(E)-N-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 63529144
(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 84555657
(E)-3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]prop-2-enamide
CID 108759157
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide
CID 3331699

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide (CID 108759033) is (E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide is COCCNS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide?
The InChIKey is GWUZYWUODGRULU-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-26-13-12-22-27(24,25)18-9-4-16(5-10-18)14-21-19(23)11-6-15-2-7-17(20)8-3-15/h2-11,22H,12-14H2,1H3,(H,21,23)/b11-6+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide has a molecular weight of 408.91 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 108759033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).