[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate

C16H22N2O6S — CID 55401511

IUPAC[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C16H22N2O6S/c1-11(2)18(4)15(20)10-24-16(21)9-17-25(22,23)14-7-5-13(6-8-14)12(3)19/h5-8,11,17H,9-10H2,1-4H3
InChIKeyRLLYDXYHMMUPRR-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.58
Rot. Bonds8

About [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate (PubChem CID 55401511) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
PubChem CID55401511
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C16H22N2O6S/c1-11(2)18(4)15(20)10-24-16(21)9-17-25(22,23)14-7-5-13(6-8-14)12(3)19/h5-8,11,17H,9-10H2,1-4H3
InChIKeyRLLYDXYHMMUPRR-UHFFFAOYSA-N
XLogP0.58
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55311606
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401494
[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826725
[2-(azetidin-1-yl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 166220509
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 4-(2-cyanoethylsulfamoyl)benzoate
CID 8632755
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234504
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 8603350
[1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55421866
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55311586
2-[(4-acetylphenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 154839888
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate (CID 55401511) is [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate is CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C(C)C)cc1.
What is the InChIKey of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The InChIKey is RLLYDXYHMMUPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-11(2)18(4)15(20)10-24-16(21)9-17-25(22,23)14-7-5-13(6-8-14)12(3)19/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate has a molecular weight of 370.43 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 55401511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).