2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide

C13H20N2O4S — CID 30128294

IUPAC2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-4-9-14-13(16)10-19-12-7-5-11(6-8-12)15(2)20(3,17)18/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChIKeyXFBDCZZZKLQDNJ-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.99
Rot. Bonds7

About 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide (PubChem CID 30128294) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
PubChem CID30128294
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-4-9-14-13(16)10-19-12-7-5-11(6-8-12)15(2)20(3,17)18/h5-8H,4,9-10H2,1-3H3,(H,14,16)
InChIKeyXFBDCZZZKLQDNJ-UHFFFAOYSA-N
XLogP0.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
CID 94140265
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128323
N-[2-(2,4-dimethylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100558204
N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128546
4-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
N-(4-iodophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128438
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43888448
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-hydroxyethyl)acetamide
CID 92649083
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100704196
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100646197
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133185613
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128712

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide (CID 30128294) is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide is CCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide?
The InChIKey is XFBDCZZZKLQDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-9-14-13(16)10-19-12-7-5-11(6-8-12)15(2)20(3,17)18/h5-8H,4,9-10H2,1-3H3,(H,14,16).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide?
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide has a molecular weight of 300.38 g/mol, XLogP of 0.99, 7 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-propylacetamide is sourced from PubChem (CID 30128294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).