4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide

C20H25FN2O3S — CID 113071489

IUPAC4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCN(c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O3S/c1-20(2,3)16-10-8-15(9-11-16)19(24)22-12-13-23(27(4,25)26)18-7-5-6-17(21)14-18/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyTUUAELMIIFPAHI-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.32
Rot. Bonds6

About 4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide

4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113071489) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113071489
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCN(c2cccc(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25FN2O3S/c1-20(2,3)16-10-8-15(9-11-16)19(24)22-12-13-23(27(4,25)26)18-7-5-6-17(21)14-18/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyTUUAELMIIFPAHI-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069749
N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethoxybenzamide
CID 113071490
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]-3-methylbenzamide
CID 113069626
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068914
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3,4-difluorobenzamide
CID 113069894
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068979
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069873
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea
CID 113071523
N-[2-(2,4-difluoro-N-methylsulfonylanilino)ethyl]-3-fluorobenzamide
CID 113071824
3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113070752
N-[(4-tert-butylphenyl)methylideneamino]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 2467181

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide (CID 113071489) is 4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCN(c2cccc(F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is TUUAELMIIFPAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-20(2,3)16-10-8-15(9-11-16)19(24)22-12-13-23(27(4,25)26)18-7-5-6-17(21)14-18/h5-11,14H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide?
4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113071489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).