[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate

C18H26N2O5S — CID 8626732

IUPAC[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCCC(C)(C)NC(=O)COC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H26N2O5S/c1-5-18(2,3)19-16(21)14-25-17(22)13-20(4)26(23,24)12-11-15-9-7-6-8-10-15/h6-12H,5,13-14H2,1-4H3,(H,19,21)/b12-11+
InChIKeyYBSBMIYATXSNCJ-VAWYXSNFSA-N
MW382.48 g/mol
LogP1.77
Rot. Bonds9

About [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate

[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate (PubChem CID 8626732) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
PubChem CID8626732
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCCC(C)(C)NC(=O)COC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H26N2O5S/c1-5-18(2,3)19-16(21)14-25-17(22)13-20(4)26(23,24)12-11-15-9-7-6-8-10-15/h6-12H,5,13-14H2,1-4H3,(H,19,21)/b12-11+
InChIKeyYBSBMIYATXSNCJ-VAWYXSNFSA-N
XLogP1.77
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate with MolForge

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Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8626737
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958472
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958497
N-(4-ethoxyphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9400832
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
ethyl 2-[[(E)-2-phenylethenyl]sulfonyl-propan-2-ylamino]acetate
CID 61022884
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 17466670
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9483076
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide
CID 9205651
N-[(4-fluorophenyl)methyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427643
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 27931453
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278853

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate?
The IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate (CID 8626732) is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate.
What is the SMILES notation for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate?
The canonical SMILES for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate is CCC(C)(C)NC(=O)COC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate?
The InChIKey is YBSBMIYATXSNCJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-5-18(2,3)19-16(21)14-25-17(22)13-20(4)26(23,24)12-11-15-9-7-6-8-10-15/h6-12H,5,13-14H2,1-4H3,(H,19,21)/b12-11+.
What are the key properties of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate?
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate has a molecular weight of 382.48 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate is sourced from PubChem (CID 8626732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).