2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide

C21H25ClN2O4S — CID 2981487

IUPAC2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C21H25ClN2O4S/c1-15(16-7-3-2-4-8-16)24-29(26,27)18-11-12-20(19(22)13-18)28-14-21(25)23-17-9-5-6-10-17/h2-4,7-8,11-13,15,17,24H,5-6,9-10,14H2,1H3,(H,23,25)
InChIKeyRJQJUNZKAUTTFP-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.82
Rot. Bonds8

About 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide

2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide (PubChem CID 2981487) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide
PubChem CID2981487
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C21H25ClN2O4S/c1-15(16-7-3-2-4-8-16)24-29(26,27)18-11-12-20(19(22)13-18)28-14-21(25)23-17-9-5-6-10-17/h2-4,7-8,11-13,15,17,24H,5-6,9-10,14H2,1H3,(H,23,25)
InChIKeyRJQJUNZKAUTTFP-UHFFFAOYSA-N
XLogP3.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-tert-butyl-2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126381951
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126383679
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
CID 40975726
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 3618567
methyl 2-[[2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126387998
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 124554917
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-methoxy-5-methylphenyl)acetamide
CID 124549037

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide?
The IUPAC name of 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide (CID 2981487) is 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide is CC(NS(=O)(=O)c1ccc(OCC(=O)NC2CCCC2)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide?
The InChIKey is RJQJUNZKAUTTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-15(16-7-3-2-4-8-16)24-29(26,27)18-11-12-20(19(22)13-18)28-14-21(25)23-17-9-5-6-10-17/h2-4,7-8,11-13,15,17,24H,5-6,9-10,14H2,1H3,(H,23,25).
What are the key properties of 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide?
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide has a molecular weight of 436.96 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide is sourced from PubChem (CID 2981487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).