(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

C19H24N2O5S — CID 100562241

IUPAC(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCOCc1cccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H24N2O5S/c1-14(19(22)20-16-7-5-6-15(12-16)13-25-3)26-18-10-8-17(9-11-18)21(2)27(4,23)24/h5-12,14H,13H2,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyARVJRSHZPZXGAC-AWEZNQCLSA-N
MW392.48 g/mol
LogP2.63
Rot. Bonds8

About (2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide

(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (PubChem CID 100562241) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is (2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
PubChem CID100562241
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
SMILESCOCc1cccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H24N2O5S/c1-14(19(22)20-16-7-5-6-15(12-16)13-25-3)26-18-10-8-17(9-11-18)21(2)27(4,23)24/h5-12,14H,13H2,1-4H3,(H,20,22)/t14-/m0/s1
InChIKeyARVJRSHZPZXGAC-AWEZNQCLSA-N
XLogP2.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133200135
N-(3-bromophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133184535
(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
CID 9179674
2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133211034
(2R)-N-(3,4-dimethylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100576280
(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-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 56923083
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(methoxymethyl)phenyl]propanamide
CID 125058110
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100670859
N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133234650

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The IUPAC name of (2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide (CID 100562241) is (2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide.
What is the SMILES notation for (2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The canonical SMILES for (2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is COCc1cccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1.
What is the InChIKey of (2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
The InChIKey is ARVJRSHZPZXGAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14(19(22)20-16-7-5-6-15(12-16)13-25-3)26-18-10-8-17(9-11-18)21(2)27(4,23)24/h5-12,14H,13H2,1-4H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide?
(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide has a molecular weight of 392.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide is sourced from PubChem (CID 100562241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).