N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

C19H21ClN2O3S — CID 9427564

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H21ClN2O3S/c1-22(26(24,25)14-12-16-5-3-2-4-6-16)15-19(23)21-13-11-17-7-9-18(20)10-8-17/h2-10,12,14H,11,13,15H2,1H3,(H,21,23)/b14-12+
InChIKeyGENHPBKOKJJCGL-WYMLVPIESA-N
MW392.91 g/mol
LogP2.93
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (PubChem CID 9427564) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
PubChem CID9427564
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H21ClN2O3S/c1-22(26(24,25)14-12-16-5-3-2-4-6-16)15-19(23)21-13-11-17-7-9-18(20)10-8-17/h2-10,12,14H,11,13,15H2,1H3,(H,21,23)/b14-12+
InChIKeyGENHPBKOKJJCGL-WYMLVPIESA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9483076
N-[(4-fluorophenyl)methyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427643
2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 78665804
N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151847
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9401471
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278853
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147701
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2386619
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 55648751
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8626737

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (CID 9427564) is N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is CN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The InChIKey is GENHPBKOKJJCGL-WYMLVPIESA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-22(26(24,25)14-12-16-5-3-2-4-6-16)15-19(23)21-13-11-17-7-9-18(20)10-8-17/h2-10,12,14H,11,13,15H2,1H3,(H,21,23)/b14-12+.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide has a molecular weight of 392.91 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is sourced from PubChem (CID 9427564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).