2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide

C17H27ClN2O4S — CID 30145706

IUPAC2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C17H27ClN2O4S/c1-5-8-13(4)19-17(21)12-24-15-10-9-14(18)11-16(15)25(22,23)20(6-2)7-3/h9-11,13H,5-8,12H2,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyGEJIIGHDHLTDNB-ZDUSSCGKSA-N
MW390.93 g/mol
LogP3.05
Rot. Bonds10

About 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide

2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 30145706) has the molecular formula C17H27ClN2O4S and a molecular weight of 390.93 g/mol. Its IUPAC name is 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
PubChem CID30145706
Molecular FormulaC17H27ClN2O4S
Molecular Weight390.93 g/mol
Exact Mass390.14
IUPAC Name2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C17H27ClN2O4S/c1-5-8-13(4)19-17(21)12-24-15-10-9-14(18)11-16(15)25(22,23)20(6-2)7-3/h9-11,13H,5-8,12H2,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyGEJIIGHDHLTDNB-ZDUSSCGKSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-(1-phenylethyl)acetamide
CID 43889255
2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30145867
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-[(2S)-pentan-2-yl]acetamide
CID 30147306
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519
2-(2-carbamothioyl-5-chlorophenoxy)-N-pentan-2-ylacetamide
CID 114323209
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide
CID 4036052
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2S)-pentan-2-yl]acetamide
CID 9003871
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 9003870
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 92645712
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide (CID 30145706) is 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is GEJIIGHDHLTDNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27ClN2O4S/c1-5-8-13(4)19-17(21)12-24-15-10-9-14(18)11-16(15)25(22,23)20(6-2)7-3/h9-11,13H,5-8,12H2,1-4H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide?
2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 390.93 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 30145706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).