2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

C25H32ClN3O6S2 — CID 43875153

IUPAC2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H32ClN3O6S2/c26-23-16-22(36(31,32)28-20-6-2-3-7-20)12-13-24(23)35-18-25(30)27-17-19-8-10-21(11-9-19)37(33,34)29-14-4-1-5-15-29/h8-13,16,20,28H,1-7,14-15,17-18H2,(H,27,30)
InChIKeyOBQWZQLEAASUPX-UHFFFAOYSA-N
MW570.13 g/mol
LogP3.43
Rot. Bonds10

About 2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (PubChem CID 43875153) has the molecular formula C25H32ClN3O6S2 and a molecular weight of 570.13 g/mol. Its IUPAC name is 2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
PubChem CID43875153
Molecular FormulaC25H32ClN3O6S2
Molecular Weight570.13 g/mol
Exact Mass569.14
IUPAC Name2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H32ClN3O6S2/c26-23-16-22(36(31,32)28-20-6-2-3-7-20)12-13-24(23)35-18-25(30)27-17-19-8-10-21(11-9-19)37(33,34)29-14-4-1-5-15-29/h8-13,16,20,28H,1-7,14-15,17-18H2,(H,27,30)
InChIKeyOBQWZQLEAASUPX-UHFFFAOYSA-N
XLogP3.43
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.13
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100800412
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 2989290
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate
CID 6957749
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
N-[(2-chlorophenyl)methyl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3993771
N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 2237026
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1093381
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875114
3-chloro-N-cyclohexyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 3934161

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (CID 43875153) is 2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is OBQWZQLEAASUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O6S2/c26-23-16-22(36(31,32)28-20-6-2-3-7-20)12-13-24(23)35-18-25(30)27-17-19-8-10-21(11-9-19)37(33,34)29-14-4-1-5-15-29/h8-13,16,20,28H,1-7,14-15,17-18H2,(H,27,30).
What are the key properties of 2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 570.13 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 43875153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).