methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate

C24H26FNO4S — CID 86695020

IUPACmethyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2c(C)c(CC(=O)OC)cc3ccc(F)cc23)cc1
InChIInChI=1S/C24H26FNO4S/c1-5-26(6-2)31(28,29)21-11-8-17(9-12-21)24-16(3)19(14-23(27)30-4)13-18-7-10-20(25)15-22(18)24/h7-13,15H,5-6,14H2,1-4H3
InChIKeyXEWKNSPCFKZABX-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.70
Rot. Bonds7

About methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate

methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate (PubChem CID 86695020) has the molecular formula C24H26FNO4S and a molecular weight of 443.54 g/mol. Its IUPAC name is methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
PubChem CID86695020
Molecular FormulaC24H26FNO4S
Molecular Weight443.54 g/mol
Exact Mass443.16
IUPAC Namemethyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2c(C)c(CC(=O)OC)cc3ccc(F)cc23)cc1
InChIInChI=1S/C24H26FNO4S/c1-5-26(6-2)31(28,29)21-11-8-17(9-12-21)24-16(3)19(14-23(27)30-4)13-18-7-10-20(25)15-22(18)24/h7-13,15H,5-6,14H2,1-4H3
InChIKeyXEWKNSPCFKZABX-UHFFFAOYSA-N
XLogP4.70
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-fluoro-4-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetate
CID 86695014
methyl 2-[6-fluoro-4-[4-[(4-methoxyphenyl)methyl-propan-2-ylsulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetate
CID 86695024
methyl 2-[6-fluoro-3-methyl-4-(4-piperidin-1-ylsulfonylphenyl)naphthalen-2-yl]acetate
CID 86695019
methyl 2-[4-[4-(3,5-difluorophenyl)sulfanylphenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
CID 86694974
2-[6-fluoro-3-methyl-4-[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]naphthalen-2-yl]acetic acid
CID 71712137
[2-[4-[4-(diethylsulfamoyl)phenoxy]-6-fluoro-3-methylnaphthalen-2-yl]acetyl] 2-[6-fluoro-3-methyl-4-[4-(4-methylpiperazin-1-yl)sulfonylphenoxy]naphthalen-2-yl]acetate
CID 90827826
methyl 2-[6-chloro-4-[4-(2,4-difluorophenyl)sulfanylphenyl]-3-methylnaphthalen-2-yl]acetate
CID 86694991
methyl 2-[6-chloro-4-[4-[(4-methoxyphenyl)methyl-propan-2-ylsulfamoyl]phenyl]-3-methylnaphthalen-2-yl]acetate
CID 86695013
7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid
CID 59326734
methyl 2-[6-chloro-3-methyl-4-[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]naphthalen-2-yl]acetate
CID 86694985
2-[4-[4-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
CID 71711645
methyl 2-[4-(4-ethylsulfonylpiperazine-1-carbonyl)-6-fluoro-3-methylnaphthalen-2-yl]acetate
CID 59326736

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
The IUPAC name of methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate (CID 86695020) is methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate is CCN(CC)S(=O)(=O)c1ccc(-c2c(C)c(CC(=O)OC)cc3ccc(F)cc23)cc1.
What is the InChIKey of methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
The InChIKey is XEWKNSPCFKZABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO4S/c1-5-26(6-2)31(28,29)21-11-8-17(9-12-21)24-16(3)19(14-23(27)30-4)13-18-7-10-20(25)15-22(18)24/h7-13,15H,5-6,14H2,1-4H3.
What are the key properties of methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate has a molecular weight of 443.54 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-(diethylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate is sourced from PubChem (CID 86695020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).