[2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate

C18H17N3O5S — CID 7653528

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1
InChIInChI=1S/C18H17N3O5S/c1-21(15-8-3-2-4-9-15)17(22)13-26-18(23)12-20-27(24,25)16-10-6-5-7-14(16)11-19/h2-10,20H,12-13H2,1H3
InChIKeyOEAKGQLWVHXLPT-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.04
Rot. Bonds7

About [2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate

[2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate (PubChem CID 7653528) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
PubChem CID7653528
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1
InChIInChI=1S/C18H17N3O5S/c1-21(15-8-3-2-4-9-15)17(22)13-26-18(23)12-20-27(24,25)16-10-6-5-7-14(16)11-19/h2-10,20H,12-13H2,1H3
InChIKeyOEAKGQLWVHXLPT-UHFFFAOYSA-N
XLogP1.04
TPSA116.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653300
[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794889
(2-oxo-2-piperidin-1-ylethyl) 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653662
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653370
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653278
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653231
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 2571060
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653296
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 26918184
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653227
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 9458294
ethyl 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]acetate
CID 60845011

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate (CID 7653528) is [2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate is CN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The InChIKey is OEAKGQLWVHXLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-21(15-8-3-2-4-9-15)17(22)13-26-18(23)12-20-27(24,25)16-10-6-5-7-14(16)11-19/h2-10,20H,12-13H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
[2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate has a molecular weight of 387.42 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7653528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).