N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide

C20H22ClN3O6S — CID 30147347

IUPACN-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22ClN3O6S/c1-14(25)22-16-3-2-4-17(12-16)23-20(26)13-30-18-6-5-15(21)11-19(18)31(27,28)24-7-9-29-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyPUPOXDVVAVEEJV-UHFFFAOYSA-N
MW467.93 g/mol
LogP2.34
Rot. Bonds7

About N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide

N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 30147347) has the molecular formula C20H22ClN3O6S and a molecular weight of 467.93 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID30147347
Molecular FormulaC20H22ClN3O6S
Molecular Weight467.93 g/mol
Exact Mass467.09
IUPAC NameN-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22ClN3O6S/c1-14(25)22-16-3-2-4-17(12-16)23-20(26)13-30-18-6-5-15(21)11-19(18)31(27,28)24-7-9-29-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyPUPOXDVVAVEEJV-UHFFFAOYSA-N
XLogP2.34
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147193
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 30147094
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647741
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30147474
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 30147469
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4-chloronaphthalen-1-yl)oxyacetamide
CID 16525258
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
CID 30147306
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2-phenylsulfanylphenyl)acetamide
CID 30147319
2-(2,6-dimethylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438009
4-[[2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]benzamide
CID 92647737
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-ethylphenyl)acetamide
CID 92647686

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide (CID 30147347) is N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide is CC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is PUPOXDVVAVEEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O6S/c1-14(25)22-16-3-2-4-17(12-16)23-20(26)13-30-18-6-5-15(21)11-19(18)31(27,28)24-7-9-29-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide?
N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 467.93 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 30147347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).