ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate

C19H23NO6S — CID 10691967

IUPACethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CN(Cc1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO6S/c1-4-26-19(21)14-20(13-15-6-5-7-17(12-15)25-3)27(22,23)18-10-8-16(24-2)9-11-18/h5-12H,4,13-14H2,1-3H3
InChIKeyUDCWFTKIDZNODS-UHFFFAOYSA-N
MW393.46 g/mol
LogP2.46
Rot. Bonds9

About ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate

ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate (PubChem CID 10691967) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate
PubChem CID10691967
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Nameethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate
SMILESCCOC(=O)CN(Cc1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H23NO6S/c1-4-26-19(21)14-20(13-15-6-5-7-17(12-15)25-3)27(22,23)18-10-8-16(24-2)9-11-18/h5-12H,4,13-14H2,1-3H3
InChIKeyUDCWFTKIDZNODS-UHFFFAOYSA-N
XLogP2.46
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(4-methoxyphenyl)sulfonyl-(3-phenylpropyl)amino]acetate
CID 10834308
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
ethyl 2-[(3-methoxyphenyl)sulfonyl-(quinolin-2-ylmethyl)amino]acetate
CID 67707635
ethyl 2-[(3-methoxyphenyl)sulfonyl-propan-2-ylamino]acetate
CID 81265540
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
ethyl 2-[benzyl-(3-cyanophenyl)sulfonylamino]acetate
CID 3854313
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
N-[(3-methoxyphenyl)methyl]-4-(2-methylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934375

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate?
The IUPAC name of ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate (CID 10691967) is ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate is CCOC(=O)CN(Cc1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate?
The InChIKey is UDCWFTKIDZNODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-4-26-19(21)14-20(13-15-6-5-7-17(12-15)25-3)27(22,23)18-10-8-16(24-2)9-11-18/h5-12H,4,13-14H2,1-3H3.
What are the key properties of ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate?
ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate has a molecular weight of 393.46 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 10691967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).