3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide

C20H25FN2O3S — CID 113069555

IUPAC3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide
SMILESCc1cccc(C(C)C)c1N(CCNC(=O)c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-14(2)18-10-5-7-15(3)19(18)23(27(4,25)26)12-11-22-20(24)16-8-6-9-17(21)13-16/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)
InChIKeyZLKQIMNYHGAAOS-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.45
Rot. Bonds7

About 3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide

3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide (PubChem CID 113069555) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide
PubChem CID113069555
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide
SMILESCc1cccc(C(C)C)c1N(CCNC(=O)c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-14(2)18-10-5-7-15(3)19(18)23(27(4,25)26)12-11-22-20(24)16-8-6-9-17(21)13-16/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)
InChIKeyZLKQIMNYHGAAOS-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
CID 113069547
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
CID 113069558
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113071824
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113069067
3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113070752
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
CID 113069568
3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069362
3-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072535
N-[2-(2-cyano-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113072167
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113072438

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide (CID 113069555) is 3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide is Cc1cccc(C(C)C)c1N(CCNC(=O)c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of 3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide?
The InChIKey is ZLKQIMNYHGAAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-14(2)18-10-5-7-15(3)19(18)23(27(4,25)26)12-11-22-20(24)16-8-6-9-17(21)13-16/h5-10,13-14H,11-12H2,1-4H3,(H,22,24).
What are the key properties of 3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide?
3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide is sourced from PubChem (CID 113069555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).