1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide

C15H20N2O3S — CID 90513449

IUPAC1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)c1
InChIInChI=1S/C15H20N2O3S/c1-10-3-4-11(2)14(7-10)16-15(18)12-8-17(9-12)21(19,20)13-5-6-13/h3-4,7,12-13H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyULMDILAVOQULRS-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.67
Rot. Bonds4

About 1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide

1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide (PubChem CID 90513449) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide
PubChem CID90513449
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)c1
InChIInChI=1S/C15H20N2O3S/c1-10-3-4-11(2)14(7-10)16-15(18)12-8-17(9-12)21(19,20)13-5-6-13/h3-4,7,12-13H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyULMDILAVOQULRS-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropylsulfonyl-N-(3,4-dimethylphenyl)azetidine-3-carboxamide
CID 90513450
N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513463
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513573
(3R)-N-(2,5-dimethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073513
N-(2,5-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 4530655
N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 651651
N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133159453
N-(2,5-dimethylphenyl)-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335470
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide (CID 90513449) is 1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide is Cc1ccc(C)c(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)c1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide?
The InChIKey is ULMDILAVOQULRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-3-4-11(2)14(7-10)16-15(18)12-8-17(9-12)21(19,20)13-5-6-13/h3-4,7,12-13H,5-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide?
1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-(2,5-dimethylphenyl)azetidine-3-carboxamide is sourced from PubChem (CID 90513449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).