N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide

C18H22N2O5S — CID 70465563

IUPACN-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1C(=O)N[C@@H]1S(=O)(=O)C1CC2CCC1C2
InChIInChI=1S/C18H22N2O5S/c21-15(10-25-13-4-2-1-3-5-13)19-16-17(22)20-18(16)26(23,24)14-9-11-6-7-12(14)8-11/h1-5,11-12,14,16,18H,6-10H2,(H,19,21)(H,20,22)/t11?,12?,14?,16-,18-/m1/s1
InChIKeyNPPPVUGJETUMJY-HPVYQHCPSA-N
MW378.45 g/mol
LogP0.61
Rot. Bonds6

About N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide

N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide (PubChem CID 70465563) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
PubChem CID70465563
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1C(=O)N[C@@H]1S(=O)(=O)C1CC2CCC1C2
InChIInChI=1S/C18H22N2O5S/c21-15(10-25-13-4-2-1-3-5-13)19-16-17(22)20-18(16)26(23,24)14-9-11-6-7-12(14)8-11/h1-5,11-12,14,16,18H,6-10H2,(H,19,21)(H,20,22)/t11?,12?,14?,16-,18-/m1/s1
InChIKeyNPPPVUGJETUMJY-HPVYQHCPSA-N
XLogP0.61
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide with MolForge

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Related Compounds

[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate
CID 11821934
N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide
CID 70467593
N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide
CID 70574394
N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
CID 67744007
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
N-(2-bicyclo[2.2.1]heptanyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190091
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 125058906
N-[(3S,4S)-2-oxo-4-(tritylsulfanylmethyl)azetidin-3-yl]-2-phenoxyacetamide
CID 54478307
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3-chlorophenoxy)acetamide
CID 98737694
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide
CID 75266971

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide (CID 70465563) is N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)N[C@@H]1C(=O)N[C@@H]1S(=O)(=O)C1CC2CCC1C2.
What is the InChIKey of N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide?
The InChIKey is NPPPVUGJETUMJY-HPVYQHCPSA-N. The full InChI is InChI=1S/C18H22N2O5S/c21-15(10-25-13-4-2-1-3-5-13)19-16-17(22)20-18(16)26(23,24)14-9-11-6-7-12(14)8-11/h1-5,11-12,14,16,18H,6-10H2,(H,19,21)(H,20,22)/t11?,12?,14?,16-,18-/m1/s1.
What are the key properties of N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide?
N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide has a molecular weight of 378.45 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 70465563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).