[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate

C15H21N3O6S — CID 8657203

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
SMILESCCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H21N3O6S/c1-4-16-15(21)18-13(19)9-24-14(20)8-17-25(22,23)12-7-10(2)5-6-11(12)3/h5-7,17H,4,8-9H2,1-3H3,(H2,16,18,19,21)
InChIKeyRWHZKBROZPXXHL-UHFFFAOYSA-N
MW371.42 g/mol
LogP-0.03
Rot. Bonds7

About [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate (PubChem CID 8657203) has the molecular formula C15H21N3O6S and a molecular weight of 371.42 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
PubChem CID8657203
Molecular FormulaC15H21N3O6S
Molecular Weight371.42 g/mol
Exact Mass371.12
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
SMILESCCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H21N3O6S/c1-4-16-15(21)18-13(19)9-24-14(20)8-17-25(22,23)12-7-10(2)5-6-11(12)3/h5-7,17H,4,8-9H2,1-3H3,(H2,16,18,19,21)
InChIKeyRWHZKBROZPXXHL-UHFFFAOYSA-N
XLogP-0.03
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657494
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657514
[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657542
2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 9189431
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8656667
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595886
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 2631471
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771432
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2590413
[2-(ethylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729510
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetate
CID 18208030

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate (CID 8657203) is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate is CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is RWHZKBROZPXXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6S/c1-4-16-15(21)18-13(19)9-24-14(20)8-17-25(22,23)12-7-10(2)5-6-11(12)3/h5-7,17H,4,8-9H2,1-3H3,(H2,16,18,19,21).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 371.42 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 8657203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).