2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide

C20H24ClN3O4S — CID 46816110

IUPAC2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)COc3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C20H24ClN3O4S/c1-2-23-9-11-24(12-10-23)29(26,27)19-8-4-6-17(14-19)22-20(25)15-28-18-7-3-5-16(21)13-18/h3-8,13-14H,2,9-12,15H2,1H3,(H,22,25)
InChIKeyWHNGZYWWOJTMIN-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.68
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide

2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 46816110) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID46816110
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)COc3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C20H24ClN3O4S/c1-2-23-9-11-24(12-10-23)29(26,27)19-8-4-6-17(14-19)22-20(25)15-28-18-7-3-5-16(21)13-18/h3-8,13-14H,2,9-12,15H2,1H3,(H,22,25)
InChIKeyWHNGZYWWOJTMIN-UHFFFAOYSA-N
XLogP2.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide 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-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9415053
ethyl N-[3-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethoxy]phenyl]carbamate
CID 30582105
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(3-chlorophenoxy)acetamide
CID 16930814
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 8982597
5-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 55638960
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55910713
N-[3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethoxy]phenyl]propanamide
CID 18870292
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 5059176
N-(3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-yloxyacetamide
CID 17070441
2-[(3-chlorophenyl)methyl-ethylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 52682337
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 46816110) is 2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide is CCN1CCN(S(=O)(=O)c2cccc(NC(=O)COc3cccc(Cl)c3)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is WHNGZYWWOJTMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-2-23-9-11-24(12-10-23)29(26,27)19-8-4-6-17(14-19)22-20(25)15-28-18-7-3-5-16(21)13-18/h3-8,13-14H,2,9-12,15H2,1H3,(H,22,25).
What are the key properties of 2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 437.95 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 46816110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).