N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide

C13H18N2O3S — CID 100786982

IUPACN-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1ccc(CC(=O)NC2CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C13H18N2O3S/c1-15(19(2,17)18)12-7-3-10(4-8-12)9-13(16)14-11-5-6-11/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,14,16)
InChIKeyZBZXOQVAJYXRHG-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.90
Rot. Bonds5

About N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide

N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 100786982) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID100786982
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1ccc(CC(=O)NC2CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C13H18N2O3S/c1-15(19(2,17)18)12-7-3-10(4-8-12)9-13(16)14-11-5-6-11/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,14,16)
InChIKeyZBZXOQVAJYXRHG-UHFFFAOYSA-N
XLogP0.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786993
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide
CID 100787251
N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide
CID 100787204
2-[4-[acetyl(methyl)amino]phenyl]-N-cyclohexylacetamide
CID 110674830
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 100787274
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786990
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-cyclopropylacetamide
CID 113151341
N-[1-(4-fluorophenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 133260923
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787095
N-cyclopropyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156212
N-cyclooctyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133231105

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 100786982) is N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide is CN(c1ccc(CC(=O)NC2CC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is ZBZXOQVAJYXRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-15(19(2,17)18)12-7-3-10(4-8-12)9-13(16)14-11-5-6-11/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide?
N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 100786982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).