2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide

C25H32ClN3O6S2 — CID 100800412

IUPAC2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H32ClN3O6S2/c26-23-18-22(37(33,34)29-14-2-1-3-15-29)10-11-24(23)35-19-25(30)27-13-12-20-6-8-21(9-7-20)36(31,32)28-16-4-5-17-28/h6-11,18H,1-5,12-17,19H2,(H,27,30)
InChIKeyAFYABIAIXXKBTC-UHFFFAOYSA-N
MW570.13 g/mol
LogP3.04
Rot. Bonds10

About 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide

2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide (PubChem CID 100800412) has the molecular formula C25H32ClN3O6S2 and a molecular weight of 570.13 g/mol. Its IUPAC name is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
PubChem CID100800412
Molecular FormulaC25H32ClN3O6S2
Molecular Weight570.13 g/mol
Exact Mass569.14
IUPAC Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H32ClN3O6S2/c26-23-18-22(37(33,34)29-14-2-1-3-15-29)10-11-24(23)35-19-25(30)27-13-12-20-6-8-21(9-7-20)36(31,32)28-16-4-5-17-28/h6-11,18H,1-5,12-17,19H2,(H,27,30)
InChIKeyAFYABIAIXXKBTC-UHFFFAOYSA-N
XLogP3.04
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.13
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142
N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5104659
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 126394799
N-[(2-chlorophenyl)methyl]-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 3993771
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 2989290
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875153
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 3950701
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100796843
N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100541707

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide (CID 100800412) is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide is O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide?
The InChIKey is AFYABIAIXXKBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O6S2/c26-23-18-22(37(33,34)29-14-2-1-3-15-29)10-11-24(23)35-19-25(30)27-13-12-20-6-8-21(9-7-20)36(31,32)28-16-4-5-17-28/h6-11,18H,1-5,12-17,19H2,(H,27,30).
What are the key properties of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide?
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide has a molecular weight of 570.13 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 100800412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).