2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide

C17H20ClN3O4S — CID 113067274

IUPAC2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccc(Cl)cc1)Cc1ccccn1
InChIInChI=1S/C17H20ClN3O4S/c1-26(23,24)21(12-15-4-2-3-9-19-15)11-10-20-17(22)13-25-16-7-5-14(18)6-8-16/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyJQCDBCZHFMGWLY-UHFFFAOYSA-N
MW397.88 g/mol
LogP1.69
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide (PubChem CID 113067274) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide
PubChem CID113067274
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide
SMILESCS(=O)(=O)N(CCNC(=O)COc1ccc(Cl)cc1)Cc1ccccn1
InChIInChI=1S/C17H20ClN3O4S/c1-26(23,24)21(12-15-4-2-3-9-19-15)11-10-20-17(22)13-25-16-7-5-14(18)6-8-16/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyJQCDBCZHFMGWLY-UHFFFAOYSA-N
XLogP1.69
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
2-(4-chlorophenoxy)-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]acetamide
CID 113066480
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]-2-phenoxyacetamide
CID 113067176
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide
CID 113151480
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113065381
N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139783
2-(4-acetylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 24607642
3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113067280
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide (CID 113067274) is 2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide is CS(=O)(=O)N(CCNC(=O)COc1ccc(Cl)cc1)Cc1ccccn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide?
The InChIKey is JQCDBCZHFMGWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-26(23,24)21(12-15-4-2-3-9-19-15)11-10-20-17(22)13-25-16-7-5-14(18)6-8-16/h2-9H,10-13H2,1H3,(H,20,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide has a molecular weight of 397.88 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide is sourced from PubChem (CID 113067274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).