ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate

C19H29NO7S — CID 59941058

IUPACethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)C(N(CCOC)S(C)(=O)=O)CC(C)(C)O2
InChIInChI=1S/C19H29NO7S/c1-6-25-18(21)13-26-14-7-8-17-15(11-14)16(12-19(2,3)27-17)20(9-10-24-4)28(5,22)23/h7-8,11,16H,6,9-10,12-13H2,1-5H3
InChIKeyZSBSXNVVSYAKDZ-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.14
Rot. Bonds9

About ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate

ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate (PubChem CID 59941058) has the molecular formula C19H29NO7S and a molecular weight of 415.51 g/mol. Its IUPAC name is ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate
PubChem CID59941058
Molecular FormulaC19H29NO7S
Molecular Weight415.51 g/mol
Exact Mass415.17
IUPAC Nameethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate
SMILESCCOC(=O)COc1ccc2c(c1)C(N(CCOC)S(C)(=O)=O)CC(C)(C)O2
InChIInChI=1S/C19H29NO7S/c1-6-25-18(21)13-26-14-7-8-17-15(11-14)16(12-19(2,3)27-17)20(9-10-24-4)28(5,22)23/h7-8,11,16H,6,9-10,12-13H2,1-5H3
InChIKeyZSBSXNVVSYAKDZ-UHFFFAOYSA-N
XLogP2.14
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate with MolForge

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Related Compounds

4-[(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-methylsulfonylamino]butanoic acid
CID 59941134
N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-(2-methoxyethyl)methanesulfonamide
CID 59941116
methyl 2-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)-methylsulfonylamino]acetate
CID 59941055
N-(6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-butylbutane-1-sulfonamide
CID 59941104
ethyl 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetate
CID 2728596
N-(3-ethoxypropyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941138
N-[2,2-dimethyl-6-(pyridin-3-ylmethoxy)-3,4-dihydrochromen-4-yl]-N-propylethanesulfonamide
CID 59941052
ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate
CID 10611863
6-butoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 11831848
N-(5-hydroxypentyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)ethanesulfonamide
CID 59941106
ethyl 2-[(3-hydroxy-2,3-dihydro-1-benzofuran-6-yl)oxy]acetate
CID 63097126
ethyl 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetate
CID 81136675

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate (CID 59941058) is ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate is CCOC(=O)COc1ccc2c(c1)C(N(CCOC)S(C)(=O)=O)CC(C)(C)O2.
What is the InChIKey of ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate?
The InChIKey is ZSBSXNVVSYAKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO7S/c1-6-25-18(21)13-26-14-7-8-17-15(11-14)16(12-19(2,3)27-17)20(9-10-24-4)28(5,22)23/h7-8,11,16H,6,9-10,12-13H2,1-5H3.
What are the key properties of ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate?
ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate has a molecular weight of 415.51 g/mol, XLogP of 2.14, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[2-methoxyethyl(methylsulfonyl)amino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]oxy]acetate is sourced from PubChem (CID 59941058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).