N-butyl-2-(4-methylsulfonylphenyl)acetamide

C13H19NO3S — CID 110771261

IUPACN-butyl-2-(4-methylsulfonylphenyl)acetamide
SMILESCCCCNC(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-3-4-9-14-13(15)10-11-5-7-12(8-6-11)18(2,16)17/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyAJMREFKLTOGGMC-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.55
Rot. Bonds6

About N-butyl-2-(4-methylsulfonylphenyl)acetamide

N-butyl-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 110771261) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-butyl-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-methylsulfonylphenyl)acetamide
PubChem CID110771261
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-butyl-2-(4-methylsulfonylphenyl)acetamide
SMILESCCCCNC(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-3-4-9-14-13(15)10-11-5-7-12(8-6-11)18(2,16)17/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyAJMREFKLTOGGMC-UHFFFAOYSA-N
XLogP1.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide
CID 98018394
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide
CID 100787251
N-dodecyl-4-[[(4-methylsulfonylphenyl)methylamino]methyl]benzamide
CID 69291989
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112990632
1-butyl-3-ethyl-2-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111151477
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
1-(2-methylidenehexyl)-4-methylsulfonylbenzene
CID 102108098
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3546363

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-butyl-2-(4-methylsulfonylphenyl)acetamide (CID 110771261) is N-butyl-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-butyl-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-butyl-2-(4-methylsulfonylphenyl)acetamide is CCCCNC(=O)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-butyl-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is AJMREFKLTOGGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-4-9-14-13(15)10-11-5-7-12(8-6-11)18(2,16)17/h5-8H,3-4,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-butyl-2-(4-methylsulfonylphenyl)acetamide?
N-butyl-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110771261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).