(2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide

C20H24N2O5S — CID 9333089

IUPAC(2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O5S/c1-21(2)20(23)19(16-6-4-3-5-7-16)27-17-8-10-18(11-9-17)28(24,25)22-12-14-26-15-13-22/h3-11,19H,12-15H2,1-2H3/t19-/m0/s1
InChIKeyCKKJKDFIGKNIIA-IBGZPJMESA-N
MW404.49 g/mol
LogP1.92
Rot. Bonds6

About (2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide

(2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide (PubChem CID 9333089) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
PubChem CID9333089
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name(2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O5S/c1-21(2)20(23)19(16-6-4-3-5-7-16)27-17-8-10-18(11-9-17)28(24,25)22-12-14-26-15-13-22/h3-11,19H,12-15H2,1-2H3/t19-/m0/s1
InChIKeyCKKJKDFIGKNIIA-IBGZPJMESA-N
XLogP1.92
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 40814254
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide
CID 40789747
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 46824288
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 8687503
methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
CID 9331081
[(1S)-3-(dimethylamino)-1-phenylpropyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2316835
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
[4-[2-(dimethylamino)-2-oxo-1-phenylethoxy]phenoxy]boronic acid
CID 150984918
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119912747
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid
CID 57373716
[2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 45354438

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
The IUPAC name of (2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide (CID 9333089) is (2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide is CN(C)C(=O)[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of (2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
The InChIKey is CKKJKDFIGKNIIA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-21(2)20(23)19(16-6-4-3-5-7-16)27-17-8-10-18(11-9-17)28(24,25)22-12-14-26-15-13-22/h3-11,19H,12-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide?
(2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide has a molecular weight of 404.49 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-(4-morpholin-4-ylsulfonylphenoxy)-2-phenylacetamide is sourced from PubChem (CID 9333089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).