N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide

C21H23FN2O4S — CID 11258615

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C21H23FN2O4S/c1-13-18(11-16(12-19(13)22)21(26)24-17-7-8-17)14-3-5-15(6-4-14)20(25)23-9-10-29(2,27)28/h3-6,11-12,17H,7-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHPQLGLJVHULNEX-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.47
Rot. Bonds7

About N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide

N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide (PubChem CID 11258615) has the molecular formula C21H23FN2O4S and a molecular weight of 418.49 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide
PubChem CID11258615
Molecular FormulaC21H23FN2O4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCCS(C)(=O)=O)cc1
InChIInChI=1S/C21H23FN2O4S/c1-13-18(11-16(12-19(13)22)21(26)24-17-7-8-17)14-3-5-15(6-4-14)20(25)23-9-10-29(2,27)28/h3-6,11-12,17H,7-10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHPQLGLJVHULNEX-UHFFFAOYSA-N
XLogP2.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide (CID 11258615) is N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCCS(C)(=O)=O)cc1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide?
The InChIKey is HPQLGLJVHULNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4S/c1-13-18(11-16(12-19(13)22)21(26)24-17-7-8-17)14-3-5-15(6-4-14)20(25)23-9-10-29(2,27)28/h3-6,11-12,17H,7-10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide has a molecular weight of 418.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methyl-5-[4-(2-methylsulfonylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 11258615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).