2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide

C20H26N2O4S — CID 133201717

IUPAC2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1C
InChIInChI=1S/C20H26N2O4S/c1-5-19(18-9-7-6-8-15(18)2)21-20(23)14-26-17-12-10-16(11-13-17)22(3)27(4,24)25/h6-13,19H,5,14H2,1-4H3,(H,21,23)
InChIKeyFXEHVHJICJPPPK-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.04
Rot. Bonds8

About 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide (PubChem CID 133201717) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide
PubChem CID133201717
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1C
InChIInChI=1S/C20H26N2O4S/c1-5-19(18-9-7-6-8-15(18)2)21-20(23)14-26-17-12-10-16(11-13-17)22(3)27(4,24)25/h6-13,19H,5,14H2,1-4H3,(H,21,23)
InChIKeyFXEHVHJICJPPPK-UHFFFAOYSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.04
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-[(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-propylacetamide
CID 30128294
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128712
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92684457
N-[1-(4-fluorophenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43906829
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128717
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128720
2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide
CID 133184431
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-methylphenyl)acetamide
CID 30128386
N,N-diethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128546

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide (CID 133201717) is 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide is CCC(NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1C.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide?
The InChIKey is FXEHVHJICJPPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-19(18-9-7-6-8-15(18)2)21-20(23)14-26-17-12-10-16(11-13-17)22(3)27(4,24)25/h6-13,19H,5,14H2,1-4H3,(H,21,23).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide?
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 3.04, 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-[1-(2-methylphenyl)propyl]acetamide is sourced from PubChem (CID 133201717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).