[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate

C23H24N2O6S2 — CID 4783113

IUPAC[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
SMILESCc1cc(C)cc(NC(=O)COC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C23H24N2O6S2/c1-16-11-17(2)13-18(12-16)24-21(26)14-31-22(27)15-30-20-8-6-19(7-9-20)25(3)33(28,29)23-5-4-10-32-23/h4-13H,14-15H2,1-3H3,(H,24,26)
InChIKeyUQNVLGLMYHBLJP-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.75
Rot. Bonds9

About [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate (PubChem CID 4783113) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
PubChem CID4783113
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC Name[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
SMILESCc1cc(C)cc(NC(=O)COC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C23H24N2O6S2/c1-16-11-17(2)13-18(12-16)24-21(26)14-31-22(27)15-30-20-8-6-19(7-9-20)25(3)33(28,29)23-5-4-10-32-23/h4-13H,14-15H2,1-3H3,(H,24,26)
InChIKeyUQNVLGLMYHBLJP-UHFFFAOYSA-N
XLogP3.75
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate with MolForge

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Related Compounds

[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16275216
[2-(4-Methoxyanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2369535
1-[2-[4-[Methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxamide
CID 2373159
N-cyclopentyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 2402591
[2-(4-Ethoxyanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4118926
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-methylsulfonylphenyl)acetamide
CID 4845015
(2-Anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 2339760
N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 2345854
[2-(4-Bromoanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 2577649
Ethyl 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-4-carboxylate
CID 2999650
[2-(2-Fluoroanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 4882189
N-methyl-N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 16238908

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
The IUPAC name of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate (CID 4783113) is [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate.
What is the SMILES notation for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
The canonical SMILES for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate is Cc1cc(C)cc(NC(=O)COC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1.
What is the InChIKey of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
The InChIKey is UQNVLGLMYHBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-16-11-17(2)13-18(12-16)24-21(26)14-31-22(27)15-30-20-8-6-19(7-9-20)25(3)33(28,29)23-5-4-10-32-23/h4-13H,14-15H2,1-3H3,(H,24,26).
What are the key properties of [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate has a molecular weight of 488.59 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylanilino)-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate is sourced from PubChem (CID 4783113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).