2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

C16H18ClN3O3S — CID 2224507

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccn1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-24(22,23)20(11-13-5-7-14(17)8-6-13)12-16(21)19-10-15-4-2-3-9-18-15/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyMJZUOCYYOFNKOZ-UHFFFAOYSA-N
MW367.86 g/mol
LogP1.81
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 2224507) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID2224507
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccn1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-24(22,23)20(11-13-5-7-14(17)8-6-13)12-16(21)19-10-15-4-2-3-9-18-15/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyMJZUOCYYOFNKOZ-UHFFFAOYSA-N
XLogP1.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 2224507) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccn1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MJZUOCYYOFNKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-24(22,23)20(11-13-5-7-14(17)8-6-13)12-16(21)19-10-15-4-2-3-9-18-15/h2-9H,10-12H2,1H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 367.86 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 2224507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).