2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide

C17H20N2O3S — CID 2188522

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-19(23(21,22)16-10-6-3-7-11-16)14-17(20)18-13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,18,20)
InChIKeyFAGWGXQFJQHRRN-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.67
Rot. Bonds7

About 2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 2188522) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID2188522
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-19(23(21,22)16-10-6-3-7-11-16)14-17(20)18-13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,18,20)
InChIKeyFAGWGXQFJQHRRN-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide (CID 2188522) is 2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide is CN(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is FAGWGXQFJQHRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-19(23(21,22)16-10-6-3-7-11-16)14-17(20)18-13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2188522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).