N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide

C16H18N2O4S — CID 893707

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide
SMILESCN(c1cccc(NC(=O)COc2ccccc2)c1)S(C)(=O)=O
InChIInChI=1S/C16H18N2O4S/c1-18(23(2,20)21)14-8-6-7-13(11-14)17-16(19)12-22-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyWIIXNBWAIWINKE-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.10
Rot. Bonds6

About N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide

N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide (PubChem CID 893707) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide
PubChem CID893707
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide
SMILESCN(c1cccc(NC(=O)COc2ccccc2)c1)S(C)(=O)=O
InChIInChI=1S/C16H18N2O4S/c1-18(23(2,20)21)14-8-6-7-13(11-14)17-16(19)12-22-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyWIIXNBWAIWINKE-UHFFFAOYSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide (CID 893707) is N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide is CN(c1cccc(NC(=O)COc2ccccc2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide?
The InChIKey is WIIXNBWAIWINKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-18(23(2,20)21)14-8-6-7-13(11-14)17-16(19)12-22-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,17,19).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide has a molecular weight of 334.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 893707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).