N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide

C17H17FN2O4S — CID 10883011

IUPACN-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide
SMILESCCNC(=O)N(C(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H17FN2O4S/c1-3-19-17(22)20(16(21)12-4-6-13(18)7-5-12)14-8-10-15(11-9-14)25(2,23)24/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyVCQJTDXMHYGFHS-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.61
Rot. Bonds4

About N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide

N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide (PubChem CID 10883011) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide
PubChem CID10883011
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC NameN-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide
SMILESCCNC(=O)N(C(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H17FN2O4S/c1-3-19-17(22)20(16(21)12-4-6-13(18)7-5-12)14-8-10-15(11-9-14)25(2,23)24/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyVCQJTDXMHYGFHS-UHFFFAOYSA-N
XLogP2.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007898
2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
CID 51072855
4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
CID 100785367
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
N-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43488878
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
3-(4-methylsulfonylphenyl)-3-oxopropanoic acid
CID 116917988
N-(1-hydroperoxyethenyl)-N-methyl-4-methylsulfonylbenzamide
CID 59702786
(Z)-2-(4-fluorophenyl)-2-(methylamino)-1-(4-methylsulfonylphenyl)ethenol
CID 142174465
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzamide
CID 66184040
2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
CID 170896030

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide (CID 10883011) is N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide is CCNC(=O)N(C(=O)c1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide?
The InChIKey is VCQJTDXMHYGFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-3-19-17(22)20(16(21)12-4-6-13(18)7-5-12)14-8-10-15(11-9-14)25(2,23)24/h4-11H,3H2,1-2H3,(H,19,22).
What are the key properties of N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide?
N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide has a molecular weight of 364.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 10883011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).