2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide

C15H24N2O4S — CID 94140265

IUPAC2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S/c1-5-12(6-2)16-15(18)11-21-14-9-7-13(8-10-14)17(3)22(4,19)20/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChIKeySIHTYAHNFZFFQJ-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.77
Rot. Bonds8

About 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide (PubChem CID 94140265) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
PubChem CID94140265
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O4S/c1-5-12(6-2)16-15(18)11-21-14-9-7-13(8-10-14)17(3)22(4,19)20/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)
InChIKeySIHTYAHNFZFFQJ-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100704196
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide
CID 133201717
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
CID 30128294
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128712
N-[1-(4-fluorophenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43906829
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128720
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128717
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128546
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128438

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide (CID 94140265) is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide?
The InChIKey is SIHTYAHNFZFFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-12(6-2)16-15(18)11-21-14-9-7-13(8-10-14)17(3)22(4,19)20/h7-10,12H,5-6,11H2,1-4H3,(H,16,18).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide?
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide has a molecular weight of 328.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 94140265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).