ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate

C20H30N2O6S — CID 55983785

IUPACethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1)C(C)C
InChIInChI=1S/C20H30N2O6S/c1-6-27-19(23)13-22(14(2)3)20(24)17-7-9-18(10-8-17)29(25,26)21-11-15(4)28-16(5)12-21/h7-10,14-16H,6,11-13H2,1-5H3
InChIKeyBLNYXZBIYAOWMH-UHFFFAOYSA-N
MW426.54 g/mol
LogP1.90
Rot. Bonds7

About ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate

ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate (PubChem CID 55983785) has the molecular formula C20H30N2O6S and a molecular weight of 426.54 g/mol. Its IUPAC name is ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate
PubChem CID55983785
Molecular FormulaC20H30N2O6S
Molecular Weight426.54 g/mol
Exact Mass426.18
IUPAC Nameethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1)C(C)C
InChIInChI=1S/C20H30N2O6S/c1-6-27-19(23)13-22(14(2)3)20(24)17-7-9-18(10-8-17)29(25,26)21-11-15(4)28-16(5)12-21/h7-10,14-16H,6,11-13H2,1-5H3
InChIKeyBLNYXZBIYAOWMH-UHFFFAOYSA-N
XLogP1.90
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate with MolForge

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Related Compounds

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 55398284
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 42968222
propyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 43008143
N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51222796
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]benzamide
CID 97354391
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119643540
methyl 2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]-propan-2-ylamino]acetate
CID 78883683
N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide
CID 78785878
N-cyclopentyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51268305
N-[2-(tert-butylamino)-2-oxoethyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylbenzamide
CID 9193663
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate (CID 55983785) is ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1)C(C)C.
What is the InChIKey of ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate?
The InChIKey is BLNYXZBIYAOWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6S/c1-6-27-19(23)13-22(14(2)3)20(24)17-7-9-18(10-8-17)29(25,26)21-11-15(4)28-16(5)12-21/h7-10,14-16H,6,11-13H2,1-5H3.
What are the key properties of ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate?
ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate has a molecular weight of 426.54 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 55983785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).