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

C15H21ClN2O4S — CID 2967191

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4S/c1-23(20,21)18(10-12-4-6-13(16)7-5-12)11-15(19)17-9-14-3-2-8-22-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyZFSJJFHFEJPTRE-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.40
Rot. Bonds7

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

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2967191) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2967191
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O4S/c1-23(20,21)18(10-12-4-6-13(16)7-5-12)11-15(19)17-9-14-3-2-8-22-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyZFSJJFHFEJPTRE-UHFFFAOYSA-N
XLogP1.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.40
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-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 2967191) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCC1CCCO1)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ZFSJJFHFEJPTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-23(20,21)18(10-12-4-6-13(16)7-5-12)11-15(19)17-9-14-3-2-8-22-14/h4-7,14H,2-3,8-11H2,1H3,(H,17,19).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 360.86 g/mol, XLogP of 1.40, 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2967191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).