[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate

C23H27N3O7S — CID 55401494

IUPAC[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H27N3O7S/c1-15-6-5-7-16(2)23(15)25-20(28)13-26(4)21(29)14-33-22(30)12-24-34(31,32)19-10-8-18(9-11-19)17(3)27/h5-11,24H,12-14H2,1-4H3,(H,25,28)
InChIKeyBPLCLIWKCLLCKS-UHFFFAOYSA-N
MW489.55 g/mol
LogP1.42
Rot. Bonds10

About [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate (PubChem CID 55401494) has the molecular formula C23H27N3O7S and a molecular weight of 489.55 g/mol. Its IUPAC name is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
PubChem CID55401494
Molecular FormulaC23H27N3O7S
Molecular Weight489.55 g/mol
Exact Mass489.16
IUPAC Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H27N3O7S/c1-15-6-5-7-16(2)23(15)25-20(28)13-26(4)21(29)14-33-22(30)12-24-34(31,32)19-10-8-18(9-11-19)17(3)27/h5-11,24H,12-14H2,1-4H3,(H,25,28)
InChIKeyBPLCLIWKCLLCKS-UHFFFAOYSA-N
XLogP1.42
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401511
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 9492559
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(3-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 9437557
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-methylbut-2-enoate
CID 9290835
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55311606
[2-(4-acetylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570282
[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826725
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 9347734
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-fluorobenzoate
CID 9198407
[2-(2,6-diethylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596410
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596471
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate (CID 55401494) is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate is CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
The InChIKey is BPLCLIWKCLLCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O7S/c1-15-6-5-7-16(2)23(15)25-20(28)13-26(4)21(29)14-33-22(30)12-24-34(31,32)19-10-8-18(9-11-19)17(3)27/h5-11,24H,12-14H2,1-4H3,(H,25,28).
What are the key properties of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate?
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate has a molecular weight of 489.55 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 55401494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).