N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide

C17H16N2O4S — CID 70467593

IUPACN-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H]1C(=O)N[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4S/c20-14(11-12-7-3-1-4-8-12)18-15-16(21)19-17(15)24(22,23)13-9-5-2-6-10-13/h1-10,15,17H,11H2,(H,18,20)(H,19,21)/t15-,17+/m0/s1
InChIKeyMYUGNNVYSJMAJU-DOTOQJQBSA-N
MW344.39 g/mol
LogP0.64
Rot. Bonds5

About N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide

N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide (PubChem CID 70467593) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide
PubChem CID70467593
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H]1C(=O)N[C@@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4S/c20-14(11-12-7-3-1-4-8-12)18-15-16(21)19-17(15)24(22,23)13-9-5-2-6-10-13/h1-10,15,17H,11H2,(H,18,20)(H,19,21)/t15-,17+/m0/s1
InChIKeyMYUGNNVYSJMAJU-DOTOQJQBSA-N
XLogP0.64
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide (CID 70467593) is N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)N[C@H]1C(=O)N[C@@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide?
The InChIKey is MYUGNNVYSJMAJU-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H16N2O4S/c20-14(11-12-7-3-1-4-8-12)18-15-16(21)19-17(15)24(22,23)13-9-5-2-6-10-13/h1-10,15,17H,11H2,(H,18,20)(H,19,21)/t15-,17+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide?
N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide has a molecular weight of 344.39 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(benzenesulfonyl)-4-oxoazetidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 70467593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).