2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide

C16H25ClN2O4S — CID 4036052

IUPAC2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl
InChIInChI=1S/C16H25ClN2O4S/c1-5-6-12(4)18-16(20)10-23-15-8-7-13(9-14(15)17)24(21,22)19-11(2)3/h7-9,11-12,19H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyAQFIQDOOPDWNFT-UHFFFAOYSA-N
MW376.91 g/mol
LogP2.71
Rot. Bonds9

About 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide

2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide (PubChem CID 4036052) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide
PubChem CID4036052
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC Name2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl
InChIInChI=1S/C16H25ClN2O4S/c1-5-6-12(4)18-16(20)10-23-15-8-7-13(9-14(15)17)24(21,22)19-11(2)3/h7-9,11-12,19H,5-6,10H2,1-4H3,(H,18,20)
InChIKeyAQFIQDOOPDWNFT-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 3304224
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
3-chloro-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
CID 1264172
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]-3-phenylpropanamide
CID 30144919
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]-3-phenylpropanamide
CID 30144926
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2223900
2-[4-chloro-2-(diethylsulfamoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
CID 30145706
N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126392203
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2S)-pentan-2-yl]acetamide
CID 9003871

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide (CID 4036052) is 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide?
The InChIKey is AQFIQDOOPDWNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O4S/c1-5-6-12(4)18-16(20)10-23-15-8-7-13(9-14(15)17)24(21,22)19-11(2)3/h7-9,11-12,19H,5-6,10H2,1-4H3,(H,18,20).
What are the key properties of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide?
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide has a molecular weight of 376.91 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 4036052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).