2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide

C16H24N2O4S — CID 2963958

IUPAC2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)NCC1CCCO1
InChIInChI=1S/C16H24N2O4S/c1-23(20,21)18(10-9-14-6-3-2-4-7-14)13-16(19)17-12-15-8-5-11-22-15/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)
InChIKeyAGBXBEYKOGBTHK-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.79
Rot. Bonds8

About 2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide

2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2963958) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2963958
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)NCC1CCCO1
InChIInChI=1S/C16H24N2O4S/c1-23(20,21)18(10-9-14-6-3-2-4-7-14)13-16(19)17-12-15-8-5-11-22-15/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19)
InChIKeyAGBXBEYKOGBTHK-UHFFFAOYSA-N
XLogP0.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide (CID 2963958) is 2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide is CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCC1CCCO1.
What is the InChIKey of 2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is AGBXBEYKOGBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-23(20,21)18(10-9-14-6-3-2-4-7-14)13-16(19)17-12-15-8-5-11-22-15/h2-4,6-7,15H,5,8-13H2,1H3,(H,17,19).
What are the key properties of 2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 340.44 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2963958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).