2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide

C20H22Cl2N2O5S — CID 16545129

IUPAC2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCc1cc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)ccc1Cl
InChIInChI=1S/C20H22Cl2N2O5S/c1-2-14-11-16(4-6-17(14)21)29-13-20(25)23-15-3-5-18(22)19(12-15)30(26,27)24-7-9-28-10-8-24/h3-6,11-12H,2,7-10,13H2,1H3,(H,23,25)
InChIKeyUJFFUQGVOAZIGQ-UHFFFAOYSA-N
MW473.38 g/mol
LogP3.59
Rot. Bonds7

About 2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 16545129) has the molecular formula C20H22Cl2N2O5S and a molecular weight of 473.38 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID16545129
Molecular FormulaC20H22Cl2N2O5S
Molecular Weight473.38 g/mol
Exact Mass472.06
IUPAC Name2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCc1cc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)ccc1Cl
InChIInChI=1S/C20H22Cl2N2O5S/c1-2-14-11-16(4-6-17(14)21)29-13-20(25)23-15-3-5-18(22)19(12-15)30(26,27)24-7-9-28-10-8-24/h3-6,11-12H,2,7-10,13H2,1H3,(H,23,25)
InChIKeyUJFFUQGVOAZIGQ-UHFFFAOYSA-N
XLogP3.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethoxy]benzamide
CID 55680625
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4-chloronaphthalen-1-yl)oxyacetamide
CID 16525258
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438277
N-(4-methyl-3-sulfamoylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30835139
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 5016661
N-(3-chloro-4-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27017330
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-pentoxybenzamide
CID 55343091
N-(3-ethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7612849
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
CID 24505780
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 42963403
[2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 27985457

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 16545129) is 2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide is CCc1cc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is UJFFUQGVOAZIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5S/c1-2-14-11-16(4-6-17(14)21)29-13-20(25)23-15-3-5-18(22)19(12-15)30(26,27)24-7-9-28-10-8-24/h3-6,11-12H,2,7-10,13H2,1H3,(H,23,25).
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 473.38 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16545129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).