N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide

C19H22FNO4S — CID 55760023

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)N(C)CCOc2ccccc2F)cc1
InChIInChI=1S/C19H22FNO4S/c1-14(2)26(23,24)16-10-8-15(9-11-16)19(22)21(3)12-13-25-18-7-5-4-6-17(18)20/h4-11,14H,12-13H2,1-3H3
InChIKeyDWNXQXBJXGCMAL-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.16
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide (PubChem CID 55760023) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide
PubChem CID55760023
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)N(C)CCOc2ccccc2F)cc1
InChIInChI=1S/C19H22FNO4S/c1-14(2)26(23,24)16-10-8-15(9-11-16)19(22)21(3)12-13-25-18-7-5-4-6-17(18)20/h4-11,14H,12-13H2,1-3H3
InChIKeyDWNXQXBJXGCMAL-UHFFFAOYSA-N
XLogP3.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26960301
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26960465
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 24516626
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 46637447
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26960625
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 60936955
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 110764877
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide (CID 55760023) is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccc(C(=O)N(C)CCOc2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide?
The InChIKey is DWNXQXBJXGCMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-14(2)26(23,24)16-10-8-15(9-11-16)19(22)21(3)12-13-25-18-7-5-4-6-17(18)20/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide?
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide has a molecular weight of 379.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55760023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).