3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide

C22H29FN2O4S — CID 55431085

IUPAC3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCOc2cc(C)cc(C)c2)ccc1F
InChIInChI=1S/C22H29FN2O4S/c1-6-25(7-2)30(27,28)21-15-18(8-9-20(21)23)22(26)24(5)10-11-29-19-13-16(3)12-17(4)14-19/h8-9,12-15H,6-7,10-11H2,1-5H3
InChIKeyHKGJOWATEYTDKG-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.62
Rot. Bonds9

About 3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide

3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide (PubChem CID 55431085) has the molecular formula C22H29FN2O4S and a molecular weight of 436.55 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide
PubChem CID55431085
Molecular FormulaC22H29FN2O4S
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCOc2cc(C)cc(C)c2)ccc1F
InChIInChI=1S/C22H29FN2O4S/c1-6-25(7-2)30(27,28)21-15-18(8-9-20(21)23)22(26)24(5)10-11-29-19-13-16(3)12-17(4)14-19/h8-9,12-15H,6-7,10-11H2,1-5H3
InChIKeyHKGJOWATEYTDKG-UHFFFAOYSA-N
XLogP3.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960780
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
CID 26995438
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529915
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 26995436
N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 31795650
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 26994062
3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55670053
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
(4-methylphenyl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529928
3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 16567569
[2-(dimethylamino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529926

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide (CID 55431085) is 3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCOc2cc(C)cc(C)c2)ccc1F.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide?
The InChIKey is HKGJOWATEYTDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O4S/c1-6-25(7-2)30(27,28)21-15-18(8-9-20(21)23)22(26)24(5)10-11-29-19-13-16(3)12-17(4)14-19/h8-9,12-15H,6-7,10-11H2,1-5H3.
What are the key properties of 3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide?
3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide has a molecular weight of 436.55 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 55431085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).