N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide

C16H24N2O6S — CID 16827039

IUPACN-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C16H24N2O6S/c1-22-11-16(19)17-5-7-25(20,21)18-6-4-12-8-14(23-2)15(24-3)9-13(12)10-18/h8-9H,4-7,10-11H2,1-3H3,(H,17,19)
InChIKeyMHISINNDLAAMTN-UHFFFAOYSA-N
MW372.44 g/mol
LogP0.15
Rot. Bonds8

About N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide

N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide (PubChem CID 16827039) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide
PubChem CID16827039
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC NameN-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C16H24N2O6S/c1-22-11-16(19)17-5-7-25(20,21)18-6-4-12-8-14(23-2)15(24-3)9-13(12)10-18/h8-9H,4-7,10-11H2,1-3H3,(H,17,19)
InChIKeyMHISINNDLAAMTN-UHFFFAOYSA-N
XLogP0.15
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide (CID 16827039) is N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide is COCC(=O)NCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1.
What is the InChIKey of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide?
The InChIKey is MHISINNDLAAMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-22-11-16(19)17-5-7-25(20,21)18-6-4-12-8-14(23-2)15(24-3)9-13(12)10-18/h8-9H,4-7,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide?
N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide has a molecular weight of 372.44 g/mol, XLogP of 0.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 16827039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).