3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide

C15H22N2O6S — CID 121164575

IUPAC3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
SMILESCCS(=O)(=O)C1CN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C15H22N2O6S/c1-5-24(19,20)11-8-17(9-11)15(18)16-10-6-12(21-2)14(23-4)13(7-10)22-3/h6-7,11H,5,8-9H2,1-4H3,(H,16,18)
InChIKeyAVQOGSJEUIILHF-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.36
Rot. Bonds6

About 3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide

3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide (PubChem CID 121164575) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
PubChem CID121164575
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Name3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
SMILESCCS(=O)(=O)C1CN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C15H22N2O6S/c1-5-24(19,20)11-8-17(9-11)15(18)16-10-6-12(21-2)14(23-4)13(7-10)22-3/h6-7,11H,5,8-9H2,1-4H3,(H,16,18)
InChIKeyAVQOGSJEUIILHF-UHFFFAOYSA-N
XLogP1.36
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90589401
4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 20629076
4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866656
4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90495359
4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057634
3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
CID 90505823
4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108846
4-[(4-methylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113107087
4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 46089269
3-ethylsulfonyl-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121164595
2-(3,5-dimethylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 46800836

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide (CID 121164575) is 3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide is CCS(=O)(=O)C1CN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1.
What is the InChIKey of 3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
The InChIKey is AVQOGSJEUIILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-5-24(19,20)11-8-17(9-11)15(18)16-10-6-12(21-2)14(23-4)13(7-10)22-3/h6-7,11H,5,8-9H2,1-4H3,(H,16,18).
What are the key properties of 3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide?
3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 121164575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).