N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

C14H22N2O5S — CID 43888448

IUPACN-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCOCC(C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O5S/c1-11(9-20-3)15-14(17)10-21-13-7-5-12(6-8-13)16(2)22(4,18)19/h5-8,11H,9-10H2,1-4H3,(H,15,17)
InChIKeyIYMJWEUFKYZGTG-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.61
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (PubChem CID 43888448) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
PubChem CID43888448
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCOCC(C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O5S/c1-11(9-20-3)15-14(17)10-21-13-7-5-12(6-8-13)16(2)22(4,18)19/h5-8,11H,9-10H2,1-4H3,(H,15,17)
InChIKeyIYMJWEUFKYZGTG-UHFFFAOYSA-N
XLogP0.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
CID 94140265
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128712
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 30130019
2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 30131468
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
N-[1-(4-fluorophenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43906829
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100704196
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-(4-acetylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 51140295
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849
N-[1-(4-methoxyphenoxy)propan-2-yl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 132659634

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (CID 43888448) is N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is COCC(C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is IYMJWEUFKYZGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-11(9-20-3)15-14(17)10-21-13-7-5-12(6-8-13)16(2)22(4,18)19/h5-8,11H,9-10H2,1-4H3,(H,15,17).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 330.41 g/mol, XLogP of 0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 43888448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).