[1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate

C23H24N2O6S2 — CID 42982354

IUPAC[1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
SMILESCc1cccc(NC(=O)C(C)OC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C23H24N2O6S2/c1-16-6-4-7-18(14-16)24-23(27)17(2)31-21(26)15-30-20-11-9-19(10-12-20)25(3)33(28,29)22-8-5-13-32-22/h4-14,17H,15H2,1-3H3,(H,24,27)
InChIKeyUFGQXCCZNMSKLP-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.83
Rot. Bonds9

About [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate

[1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate (PubChem CID 42982354) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Name[1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
PubChem CID42982354
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC Name[1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
SMILESCc1cccc(NC(=O)C(C)OC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C23H24N2O6S2/c1-16-6-4-7-18(14-16)24-23(27)17(2)31-21(26)15-30-20-11-9-19(10-12-20)25(3)33(28,29)22-8-5-13-32-22/h4-14,17H,15H2,1-3H3,(H,24,27)
InChIKeyUFGQXCCZNMSKLP-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate with MolForge

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Related Compounds

methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-(3,5-dimethylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545390
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770132
[2-oxo-2-(3-phenoxyanilino)ethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 23851040
N-(4-bromo-3-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545387
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 7855094
N-(3,4-difluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]propanamide
CID 45354860
3-methylbutyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 30138427
(2-amino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 8820335
N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16552072
N-[3-(3-cyanopropoxy)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 55879849
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
The IUPAC name of [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate (CID 42982354) is [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate.
What is the SMILES notation for [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
The canonical SMILES for [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate is Cc1cccc(NC(=O)C(C)OC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1.
What is the InChIKey of [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
The InChIKey is UFGQXCCZNMSKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-16-6-4-7-18(14-16)24-23(27)17(2)31-21(26)15-30-20-11-9-19(10-12-20)25(3)33(28,29)22-8-5-13-32-22/h4-14,17H,15H2,1-3H3,(H,24,27).
What are the key properties of [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
[1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate has a molecular weight of 488.59 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylanilino)-1-oxopropan-2-yl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate is sourced from PubChem (CID 42982354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).