3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide

C19H23FN2O4S — CID 113070752

IUPAC3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide
SMILESCC(C)Oc1ccc(N(CCNC(=O)c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-14(2)26-18-9-7-17(8-10-18)22(27(3,24)25)12-11-21-19(23)15-5-4-6-16(20)13-15/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)
InChIKeyBAXYZKFQDOOALS-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.81
Rot. Bonds8

About 3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide

3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide (PubChem CID 113070752) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide
PubChem CID113070752
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide
SMILESCC(C)Oc1ccc(N(CCNC(=O)c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O4S/c1-14(2)26-18-9-7-17(8-10-18)22(27(3,24)25)12-11-21-19(23)15-5-4-6-16(20)13-15/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)
InChIKeyBAXYZKFQDOOALS-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
CID 113070755
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113071824
3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide
CID 113069555
3-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072535
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethoxybenzamide
CID 113071490
N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113069746
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
CID 113070738
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113071489
N-[2-(2-cyano-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113072167
3-fluoro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066064
3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide
CID 113068437

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide (CID 113070752) is 3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide is CC(C)Oc1ccc(N(CCNC(=O)c2cccc(F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide?
The InChIKey is BAXYZKFQDOOALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-14(2)26-18-9-7-17(8-10-18)22(27(3,24)25)12-11-21-19(23)15-5-4-6-16(20)13-15/h4-10,13-14H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide?
3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide is sourced from PubChem (CID 113070752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).