2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

C23H29ClN2O6S — CID 43873697

IUPAC2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1OC
InChIInChI=1S/C23H29ClN2O6S/c1-16(17-7-9-21(30-2)22(13-17)31-3)25-23(27)15-32-20-10-8-18(14-19(20)24)33(28,29)26-11-5-4-6-12-26/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,25,27)
InChIKeyLVXJTTZQGMMMME-UHFFFAOYSA-N
MW497.01 g/mol
LogP3.79
Rot. Bonds9

About 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 43873697) has the molecular formula C23H29ClN2O6S and a molecular weight of 497.01 g/mol. Its IUPAC name is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID43873697
Molecular FormulaC23H29ClN2O6S
Molecular Weight497.01 g/mol
Exact Mass496.14
IUPAC Name2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1OC
InChIInChI=1S/C23H29ClN2O6S/c1-16(17-7-9-21(30-2)22(13-17)31-3)25-23(27)15-32-20-10-8-18(14-19(20)24)33(28,29)26-11-5-4-6-12-26/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,25,27)
InChIKeyLVXJTTZQGMMMME-UHFFFAOYSA-N
XLogP3.79
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.01
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552166
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 28555994
2-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 30395314
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 28551671
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 43873383
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402252
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4667285
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 28555285
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43873738

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 43873697) is 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)cc1OC.
What is the InChIKey of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is LVXJTTZQGMMMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O6S/c1-16(17-7-9-21(30-2)22(13-17)31-3)25-23(27)15-32-20-10-8-18(14-19(20)24)33(28,29)26-11-5-4-6-12-26/h7-10,13-14,16H,4-6,11-12,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 497.01 g/mol, XLogP of 3.79, 9 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-[1-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43873697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).