(3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide

C15H21NO5S — CID 136589085

IUPAC(3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide
SMILESCO[C@@H]1COC[C@@H]1S(=O)(=O)NC(C)CC(=O)c1ccccc1
InChIInChI=1S/C15H21NO5S/c1-11(8-13(17)12-6-4-3-5-7-12)16-22(18,19)15-10-21-9-14(15)20-2/h3-7,11,14-16H,8-10H2,1-2H3/t11?,14-,15+/m1/s1
InChIKeyXKARQYMIPLHNOG-JBAPVGOWSA-N
MW327.40 g/mol
LogP0.98
Rot. Bonds7

About (3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide

(3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide (PubChem CID 136589085) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is (3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide
PubChem CID136589085
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name(3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide
SMILESCO[C@@H]1COC[C@@H]1S(=O)(=O)NC(C)CC(=O)c1ccccc1
InChIInChI=1S/C15H21NO5S/c1-11(8-13(17)12-6-4-3-5-7-12)16-22(18,19)15-10-21-9-14(15)20-2/h3-7,11,14-16H,8-10H2,1-2H3/t11?,14-,15+/m1/s1
InChIKeyXKARQYMIPLHNOG-JBAPVGOWSA-N
XLogP0.98
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide?
The IUPAC name of (3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide (CID 136589085) is (3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide.
What is the SMILES notation for (3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide?
The canonical SMILES for (3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide is CO[C@@H]1COC[C@@H]1S(=O)(=O)NC(C)CC(=O)c1ccccc1.
What is the InChIKey of (3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide?
The InChIKey is XKARQYMIPLHNOG-JBAPVGOWSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-11(8-13(17)12-6-4-3-5-7-12)16-22(18,19)15-10-21-9-14(15)20-2/h3-7,11,14-16H,8-10H2,1-2H3/t11?,14-,15+/m1/s1.
What are the key properties of (3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide?
(3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide has a molecular weight of 327.40 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methoxy-N-(4-oxo-4-phenylbutan-2-yl)oxolane-3-sulfonamide is sourced from PubChem (CID 136589085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).