N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide

C16H24N2O6S — CID 162970604

IUPACN-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1OCC(NCc2ccc(S(C)(=O)=O)cc2)C1O
InChIInChI=1S/C16H24N2O6S/c1-23-10-15(19)18-8-14-16(20)13(9-24-14)17-7-11-3-5-12(6-4-11)25(2,21)22/h3-6,13-14,16-17,20H,7-10H2,1-2H3,(H,18,19)
InChIKeyIGMZSMYBYDOVHA-UHFFFAOYSA-N
MW372.44 g/mol
LogP-0.93
Rot. Bonds8

About N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide

N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 162970604) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide
PubChem CID162970604
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC NameN-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCC1OCC(NCc2ccc(S(C)(=O)=O)cc2)C1O
InChIInChI=1S/C16H24N2O6S/c1-23-10-15(19)18-8-14-16(20)13(9-24-14)17-7-11-3-5-12(6-4-11)25(2,21)22/h3-6,13-14,16-17,20H,7-10H2,1-2H3,(H,18,19)
InChIKeyIGMZSMYBYDOVHA-UHFFFAOYSA-N
XLogP-0.93
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide (CID 162970604) is N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NCC1OCC(NCc2ccc(S(C)(=O)=O)cc2)C1O.
What is the InChIKey of N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is IGMZSMYBYDOVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-23-10-15(19)18-8-14-16(20)13(9-24-14)17-7-11-3-5-12(6-4-11)25(2,21)22/h3-6,13-14,16-17,20H,7-10H2,1-2H3,(H,18,19).
What are the key properties of N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide?
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 372.44 g/mol, XLogP of -0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 162970604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).