ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate

C20H30N2O8S — CID 55726301

IUPACethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H30N2O8S/c1-4-30-20(24)15-21(7-10-27-2)19(23)14-16-5-6-17(28-3)18(13-16)31(25,26)22-8-11-29-12-9-22/h5-6,13H,4,7-12,14-15H2,1-3H3
InChIKeyULCBOVLTECHAAV-UHFFFAOYSA-N
MW458.53 g/mol
LogP0.30
Rot. Bonds11

About ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate

ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate (PubChem CID 55726301) has the molecular formula C20H30N2O8S and a molecular weight of 458.53 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate
PubChem CID55726301
Molecular FormulaC20H30N2O8S
Molecular Weight458.53 g/mol
Exact Mass458.17
IUPAC Nameethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H30N2O8S/c1-4-30-20(24)15-21(7-10-27-2)19(23)14-16-5-6-17(28-3)18(13-16)31(25,26)22-8-11-29-12-9-22/h5-6,13H,4,7-12,14-15H2,1-3H3
InChIKeyULCBOVLTECHAAV-UHFFFAOYSA-N
XLogP0.30
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate with MolForge

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Related Compounds

(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
CID 7213290
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
CID 55917319
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide
CID 30797429
ethyl 2-[2-methoxyethyl-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]acetate
CID 55725920
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
CID 42905293

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate (CID 55726301) is ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate is CCOC(=O)CN(CCOC)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate?
The InChIKey is ULCBOVLTECHAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O8S/c1-4-30-20(24)15-21(7-10-27-2)19(23)14-16-5-6-17(28-3)18(13-16)31(25,26)22-8-11-29-12-9-22/h5-6,13H,4,7-12,14-15H2,1-3H3.
What are the key properties of ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate?
ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate has a molecular weight of 458.53 g/mol, XLogP of 0.30, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate is sourced from PubChem (CID 55726301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).