1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide

C17H18N2O4S — CID 90513134

IUPAC1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C17H18N2O4S/c1-24(21,22)19-11-13(12-19)17(20)18-14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,18,20)
InChIKeyLYUXVLJEJCWNJJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.31
Rot. Bonds5

About 1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide

1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide (PubChem CID 90513134) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
PubChem CID90513134
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C17H18N2O4S/c1-24(21,22)19-11-13(12-19)17(20)18-14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,18,20)
InChIKeyLYUXVLJEJCWNJJ-UHFFFAOYSA-N
XLogP2.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90511634
1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 17412915
N-(4-cyanophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513246
1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 90513233
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 124523029
1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113185562
(1R)-N-(4-phenoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 8780376
N-(3-methylsulfanylphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513206
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 84916478
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide (CID 90513134) is 1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide is CS(=O)(=O)N1CC(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of 1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide?
The InChIKey is LYUXVLJEJCWNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-24(21,22)19-11-13(12-19)17(20)18-14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,18,20).
What are the key properties of 1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide?
1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).