N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

C16H20N2O4S — CID 91775079

IUPACN-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](NS(=O)(=O)/C=C/c2ccccc2)[C@H]2CCO[C@H]21
InChIInChI=1S/C16H20N2O4S/c1-11(19)17-15-14(13-7-9-22-16(13)15)18-23(20,21)10-8-12-5-3-2-4-6-12/h2-6,8,10,13-16,18H,7,9H2,1H3,(H,17,19)/b10-8+/t13-,14+,15-,16-/m1/s1
InChIKeyXBKZTZSEMBNWJK-BFRNMTHVSA-N
MW336.41 g/mol
LogP0.87
Rot. Bonds5

About N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (PubChem CID 91775079) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
PubChem CID91775079
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](NS(=O)(=O)/C=C/c2ccccc2)[C@H]2CCO[C@H]21
InChIInChI=1S/C16H20N2O4S/c1-11(19)17-15-14(13-7-9-22-16(13)15)18-23(20,21)10-8-12-5-3-2-4-6-12/h2-6,8,10,13-16,18H,7,9H2,1H3,(H,17,19)/b10-8+/t13-,14+,15-,16-/m1/s1
InChIKeyXBKZTZSEMBNWJK-BFRNMTHVSA-N
XLogP0.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The IUPAC name of N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (CID 91775079) is N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is CC(=O)N[C@@H]1[C@@H](NS(=O)(=O)/C=C/c2ccccc2)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The InChIKey is XBKZTZSEMBNWJK-BFRNMTHVSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11(19)17-15-14(13-7-9-22-16(13)15)18-23(20,21)10-8-12-5-3-2-4-6-12/h2-6,8,10,13-16,18H,7,9H2,1H3,(H,17,19)/b10-8+/t13-,14+,15-,16-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide has a molecular weight of 336.41 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-6-[[(E)-2-phenylethenyl]sulfonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is sourced from PubChem (CID 91775079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).