(2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate

C20H22N2O5S — CID 7847645

IUPAC(2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccccc1
InChIInChI=1S/C20H22N2O5S/c23-19(22-17-8-2-1-3-9-17)14-27-20(24)13-21-28(25,26)18-11-10-15-6-4-5-7-16(15)12-18/h1-3,8-12,21H,4-7,13-14H2,(H,22,23)
InChIKeyBIAHAECJOROJCS-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.03
Rot. Bonds7

About (2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate

(2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate (PubChem CID 7847645) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
PubChem CID7847645
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name(2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccccc1
InChIInChI=1S/C20H22N2O5S/c23-19(22-17-8-2-1-3-9-17)14-27-20(24)13-21-28(25,26)18-11-10-15-6-4-5-7-16(15)12-18/h1-3,8-12,21H,4-7,13-14H2,(H,22,23)
InChIKeyBIAHAECJOROJCS-UHFFFAOYSA-N
XLogP2.03
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826786
(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664557
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847658
N-(4-acetylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112999633
(4-methylphenyl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate
CID 7847537
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
N-[4-(phenylsulfamoyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18274203
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 35986124
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570245
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954051
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961571
[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8924831

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate (CID 7847645) is (2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate is O=C(COC(=O)CNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate?
The InChIKey is BIAHAECJOROJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c23-19(22-17-8-2-1-3-9-17)14-27-20(24)13-21-28(25,26)18-11-10-15-6-4-5-7-16(15)12-18/h1-3,8-12,21H,4-7,13-14H2,(H,22,23).
What are the key properties of (2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate?
(2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate has a molecular weight of 402.47 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 7847645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).