(2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate

C21H20N2O6S2 — CID 2339760

IUPAC(2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
SMILESCN(c1ccc(OCC(=O)OCC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C21H20N2O6S2/c1-23(31(26,27)21-8-5-13-30-21)17-9-11-18(12-10-17)28-15-20(25)29-14-19(24)22-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,22,24)
InChIKeyRAMJUZNZGBDDOO-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.13
Rot. Bonds9

About (2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate

(2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate (PubChem CID 2339760) has the molecular formula C21H20N2O6S2 and a molecular weight of 460.53 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
PubChem CID2339760
Molecular FormulaC21H20N2O6S2
Molecular Weight460.53 g/mol
Exact Mass460.08
IUPAC Name(2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
SMILESCN(c1ccc(OCC(=O)OCC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C21H20N2O6S2/c1-23(31(26,27)21-8-5-13-30-21)17-9-11-18(12-10-17)28-15-20(25)29-14-19(24)22-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,22,24)
InChIKeyRAMJUZNZGBDDOO-UHFFFAOYSA-N
XLogP3.13
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate (CID 2339760) is (2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate is CN(c1ccc(OCC(=O)OCC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
The InChIKey is RAMJUZNZGBDDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S2/c1-23(31(26,27)21-8-5-13-30-21)17-9-11-18(12-10-17)28-15-20(25)29-14-19(24)22-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,22,24).
What are the key properties of (2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate?
(2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate has a molecular weight of 460.53 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate is sourced from PubChem (CID 2339760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).