2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide

C17H25ClN2O5S — CID 30147306

IUPAC2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H25ClN2O5S/c1-3-4-13(2)19-17(21)12-25-15-6-5-14(18)11-16(15)26(22,23)20-7-9-24-10-8-20/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyKUNUZXSPZYZGRS-ZDUSSCGKSA-N
MW404.92 g/mol
LogP2.04
Rot. Bonds8

About 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide

2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 30147306) has the molecular formula C17H25ClN2O5S and a molecular weight of 404.92 g/mol. Its IUPAC name is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
PubChem CID30147306
Molecular FormulaC17H25ClN2O5S
Molecular Weight404.92 g/mol
Exact Mass404.12
IUPAC Name2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H25ClN2O5S/c1-3-4-13(2)19-17(21)12-25-15-6-5-14(18)11-16(15)26(22,23)20-7-9-24-10-8-20/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyKUNUZXSPZYZGRS-ZDUSSCGKSA-N
XLogP2.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147193
[2-oxo-2-(pentan-2-ylamino)ethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4566884
N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147347
2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
CID 30145706
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
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 30147244
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30146034
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 30147094
1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
CID 30147236
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667091

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide (CID 30147306) is 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is KUNUZXSPZYZGRS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25ClN2O5S/c1-3-4-13(2)19-17(21)12-25-15-6-5-14(18)11-16(15)26(22,23)20-7-9-24-10-8-20/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide?
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 404.92 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 30147306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).