4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide

C28H24N2O4S — CID 11842238

IUPAC4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)C2C(Oc3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C28H24N2O4S/c1-21-17-19-25(20-18-21)35(32,33)30(23-13-7-3-8-14-23)27-26(34-24-15-9-4-10-16-24)28(31)29(27)22-11-5-2-6-12-22/h2-20,26-27H,1H3
InChIKeyGVRHUEMPEFJHOH-UHFFFAOYSA-N
MW484.58 g/mol
LogP5.01
Rot. Bonds7

About 4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide

4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide (PubChem CID 11842238) has the molecular formula C28H24N2O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is 4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide
PubChem CID11842238
Molecular FormulaC28H24N2O4S
Molecular Weight484.58 g/mol
Exact Mass484.15
IUPAC Name4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)C2C(Oc3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C28H24N2O4S/c1-21-17-19-25(20-18-21)35(32,33)30(23-13-7-3-8-14-23)27-26(34-24-15-9-4-10-16-24)28(31)29(27)22-11-5-2-6-12-22/h2-20,26-27H,1H3
InChIKeyGVRHUEMPEFJHOH-UHFFFAOYSA-N
XLogP5.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide with MolForge

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Related Compounds

N-[(2S,3R)-3-(1,3-dioxoisoindol-2-yl)-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 101067139
N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-2-phenoxy-N-phenylacetamide
CID 56694020
4-(4-aminophenyl)-1-(4-methylphenyl)-3-phenoxyazetidin-2-one
CID 12509595
1-(4-methylphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one
CID 12509594
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 23998488
4-methyl-N-[(2S,4R)-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
CID 1108481
N-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]benzenesulfonamide
CID 46055235
N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
N-[(2-chlorophenyl)methyl]-4-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23772798
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 1127294
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenoxyacetamide
CID 19212618

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide (CID 11842238) is 4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccccc2)C2C(Oc3ccccc3)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide?
The InChIKey is GVRHUEMPEFJHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4S/c1-21-17-19-25(20-18-21)35(32,33)30(23-13-7-3-8-14-23)27-26(34-24-15-9-4-10-16-24)28(31)29(27)22-11-5-2-6-12-22/h2-20,26-27H,1H3.
What are the key properties of 4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide?
4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide has a molecular weight of 484.58 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxo-3-phenoxy-1-phenylazetidin-2-yl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 11842238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).