N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide

C15H22FN3O4S — CID 48532285

IUPACN-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)N(CC)CC)c1
InChIInChI=1S/C15H22FN3O4S/c1-4-18-24(22,23)11-7-8-13(16)12(9-11)15(21)17-10-14(20)19(5-2)6-3/h7-9,18H,4-6,10H2,1-3H3,(H,17,21)
InChIKeyXYFXYVZLMZXMCT-UHFFFAOYSA-N
MW359.42 g/mol
LogP0.72
Rot. Bonds8

About N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide

N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide (PubChem CID 48532285) has the molecular formula C15H22FN3O4S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
PubChem CID48532285
Molecular FormulaC15H22FN3O4S
Molecular Weight359.42 g/mol
Exact Mass359.13
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)N(CC)CC)c1
InChIInChI=1S/C15H22FN3O4S/c1-4-18-24(22,23)11-7-8-13(16)12(9-11)15(21)17-10-14(20)19(5-2)6-3/h7-9,18H,4-6,10H2,1-3H3,(H,17,21)
InChIKeyXYFXYVZLMZXMCT-UHFFFAOYSA-N
XLogP0.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
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CID 65367572
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 60544335
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
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N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119206509
N-[2-(diethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 48503596
ethyl 1-[[5-(ethylsulfamoyl)-2-fluorobenzoyl]amino]cyclohexane-1-carboxylate
CID 55969219
N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide
CID 115681928
5-(ethylsulfamoyl)-2-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 55913591
5-(ethylsulfamoyl)-2-fluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813430

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide (CID 48532285) is N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)N(CC)CC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is XYFXYVZLMZXMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4S/c1-4-18-24(22,23)11-7-8-13(16)12(9-11)15(21)17-10-14(20)19(5-2)6-3/h7-9,18H,4-6,10H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 359.42 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-5-(ethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 48532285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).