3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide

C18H23FN4O4S — CID 86998429

IUPAC3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC2(c3noc(C)n3)CCC2)ccc1F
InChIInChI=1S/C18H23FN4O4S/c1-4-23(5-2)28(25,26)15-11-13(7-8-14(15)19)16(24)21-18(9-6-10-18)17-20-12(3)27-22-17/h7-8,11H,4-6,9-10H2,1-3H3,(H,21,24)
InChIKeyYHKASBIRUCREGW-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.36
Rot. Bonds7

About 3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide

3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide (PubChem CID 86998429) has the molecular formula C18H23FN4O4S and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide
PubChem CID86998429
Molecular FormulaC18H23FN4O4S
Molecular Weight410.47 g/mol
Exact Mass410.14
IUPAC Name3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC2(c3noc(C)n3)CCC2)ccc1F
InChIInChI=1S/C18H23FN4O4S/c1-4-23(5-2)28(25,26)15-11-13(7-8-14(15)19)16(24)21-18(9-6-10-18)17-20-12(3)27-22-17/h7-8,11H,4-6,9-10H2,1-3H3,(H,21,24)
InChIKeyYHKASBIRUCREGW-UHFFFAOYSA-N
XLogP2.36
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
6-(diethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-oxo-1H-quinoline-4-carboxamide
CID 55538796
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
N-(1-adamantyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26910714
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86982746
3-(cyclopropylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 55980465
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate
CID 60559915
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-methylsulfanylbenzamide
CID 86998426
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55622006
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26534788

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide (CID 86998429) is 3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC2(c3noc(C)n3)CCC2)ccc1F.
What is the InChIKey of 3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide?
The InChIKey is YHKASBIRUCREGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4S/c1-4-23(5-2)28(25,26)15-11-13(7-8-14(15)19)16(24)21-18(9-6-10-18)17-20-12(3)27-22-17/h7-8,11H,4-6,9-10H2,1-3H3,(H,21,24).
What are the key properties of 3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide?
3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide has a molecular weight of 410.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide is sourced from PubChem (CID 86998429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).