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

C17H19ClN2O4S — CID 1265933

IUPAC2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19ClN2O4S/c1-12(2)20-25(22,23)14-8-9-16(15(18)10-14)24-11-17(21)19-13-6-4-3-5-7-13/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyUCMYYSJYMLCIGR-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.04
Rot. Bonds7

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

2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide (PubChem CID 1265933) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
PubChem CID1265933
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19ClN2O4S/c1-12(2)20-25(22,23)14-8-9-16(15(18)10-14)24-11-17(21)19-13-6-4-3-5-7-13/h3-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyUCMYYSJYMLCIGR-UHFFFAOYSA-N
XLogP3.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
CID 40975726
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 3618567
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2223900
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 124551001
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 3304224
2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4960689
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide
CID 4036052
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 126263338

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide (CID 1265933) is 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide?
The InChIKey is UCMYYSJYMLCIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12(2)20-25(22,23)14-8-9-16(15(18)10-14)24-11-17(21)19-13-6-4-3-5-7-13/h3-10,12,20H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide?
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide has a molecular weight of 382.87 g/mol, XLogP of 3.04, 7 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-phenylacetamide is sourced from PubChem (CID 1265933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).