2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide

C20H24FNO5S — CID 70855571

IUPAC2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)CC(c2ccccc2F)C2OC(C)O2)cc1
InChIInChI=1S/C20H24FNO5S/c1-14-26-20(27-14)18(17-6-4-5-7-19(17)21)13-28(23,24)22(2)12-15-8-10-16(25-3)11-9-15/h4-11,14,18,20H,12-13H2,1-3H3
InChIKeyPFWTXJWDHVVSDD-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.10
Rot. Bonds8

About 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide

2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide (PubChem CID 70855571) has the molecular formula C20H24FNO5S and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide
PubChem CID70855571
Molecular FormulaC20H24FNO5S
Molecular Weight409.48 g/mol
Exact Mass409.14
IUPAC Name2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)CC(c2ccccc2F)C2OC(C)O2)cc1
InChIInChI=1S/C20H24FNO5S/c1-14-26-20(27-14)18(17-6-4-5-7-19(17)21)13-28(23,24)22(2)12-15-8-10-16(25-3)11-9-15/h4-11,14,18,20H,12-13H2,1-3H3
InChIKeyPFWTXJWDHVVSDD-UHFFFAOYSA-N
XLogP3.10
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide (CID 70855571) is 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide is COc1ccc(CN(C)S(=O)(=O)CC(c2ccccc2F)C2OC(C)O2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide?
The InChIKey is PFWTXJWDHVVSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO5S/c1-14-26-20(27-14)18(17-6-4-5-7-19(17)21)13-28(23,24)22(2)12-15-8-10-16(25-3)11-9-15/h4-11,14,18,20H,12-13H2,1-3H3.
What are the key properties of 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide?
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide has a molecular weight of 409.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-1,3-dioxetan-2-yl)ethanesulfonamide is sourced from PubChem (CID 70855571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).