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

C12H18N2O4S — CID 56923083

IUPACN-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCNC(=O)C(C)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(12(15)13-2)18-11-7-5-10(6-8-11)14(3)19(4,16)17/h5-9H,1-4H3,(H,13,15)
InChIKeyQAVRMZZWSQUNDR-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.60
Rot. Bonds5

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

N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 56923083) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound NameN-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID56923083
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCNC(=O)C(C)Oc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(12(15)13-2)18-11-7-5-10(6-8-11)14(3)19(4,16)17/h5-9H,1-4H3,(H,13,15)
InChIKeyQAVRMZZWSQUNDR-UHFFFAOYSA-N
XLogP0.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propan-2-ylpropanamide
CID 95397516
(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280
(2S)-N-cycloheptyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100677106
(2S)-N-(2,6-diethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100754867
dimethyl 5-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanoylamino]benzene-1,3-dicarboxylate
CID 133186767
N-(3,4-difluorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184624
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184535
N-(3-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133200135
(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102
(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566093
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100670859
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 100627834

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 56923083) is N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is CNC(=O)C(C)Oc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is QAVRMZZWSQUNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(12(15)13-2)18-11-7-5-10(6-8-11)14(3)19(4,16)17/h5-9H,1-4H3,(H,13,15).
What are the key properties of N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 286.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 56923083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).