[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate

C14H19N3O6S — CID 7826725

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C)cc1
InChIInChI=1S/C14H19N3O6S/c1-10(18)16-11-4-6-12(7-5-11)24(21,22)15-8-14(20)23-9-13(19)17(2)3/h4-7,15H,8-9H2,1-3H3,(H,16,18)
InChIKeySXMJHWVNXLZVGQ-UHFFFAOYSA-N
MW357.39 g/mol
LogP-0.45
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate

[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (PubChem CID 7826725) has the molecular formula C14H19N3O6S and a molecular weight of 357.39 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
PubChem CID7826725
Molecular FormulaC14H19N3O6S
Molecular Weight357.39 g/mol
Exact Mass357.10
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C)cc1
InChIInChI=1S/C14H19N3O6S/c1-10(18)16-11-4-6-12(7-5-11)24(21,22)15-8-14(20)23-9-13(19)17(2)3/h4-7,15H,8-9H2,1-3H3,(H,16,18)
InChIKeySXMJHWVNXLZVGQ-UHFFFAOYSA-N
XLogP-0.45
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826786
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826732
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 16599852
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 55401511
[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826797
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 4844460
N-[4-[(2-amino-2-sulfanylideneethyl)sulfamoyl]phenyl]acetamide
CID 61127681
[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8924831
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234504
ethyl 2-[[2-[2-[(4-acetamidophenyl)sulfonylamino]acetyl]oxyacetyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 3281663
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839568
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate (CID 7826725) is [2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C)cc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
The InChIKey is SXMJHWVNXLZVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6S/c1-10(18)16-11-4-6-12(7-5-11)24(21,22)15-8-14(20)23-9-13(19)17(2)3/h4-7,15H,8-9H2,1-3H3,(H,16,18).
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate?
[2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate has a molecular weight of 357.39 g/mol, XLogP of -0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7826725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).