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

C17H19ClN2O3S — CID 2243231

IUPACN-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-24(22,23)20(12-15-7-9-16(18)10-8-15)13-17(21)19-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyBWTZGBLUEGMIEW-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.42
Rot. Bonds7

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

N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 2243231) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
PubChem CID2243231
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-24(22,23)20(12-15-7-9-16(18)10-8-15)13-17(21)19-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,21)
InChIKeyBWTZGBLUEGMIEW-UHFFFAOYSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide (CID 2243231) is N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is BWTZGBLUEGMIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-24(22,23)20(12-15-7-9-16(18)10-8-15)13-17(21)19-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 366.87 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 2243231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).