N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide

C13H19FN2O3S — CID 3139233

IUPACN-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC(C)(C)NC(=O)CN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C13H19FN2O3S/c1-13(2,3)15-12(17)9-16(20(4,18)19)11-8-6-5-7-10(11)14/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyFITOBLKATPIGRG-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.51
Rot. Bonds4

About N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide

N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 3139233) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID3139233
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCC(C)(C)NC(=O)CN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C13H19FN2O3S/c1-13(2,3)15-12(17)9-16(20(4,18)19)11-8-6-5-7-10(11)14/h5-8H,9H2,1-4H3,(H,15,17)
InChIKeyFITOBLKATPIGRG-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 3130608
N-tert-butyl-2-(N-methylsulfonylanilino)acetamide
CID 51343017
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 3594757
2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095277
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133228044
N-tert-butyl-2-[[2-(2-fluoro-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132724388
2-[benzyl-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-tert-butyl-3-phenylpropanamide
CID 133146543
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126334178
2-(2-fluoro-N-methylsulfonylanilino)ethanimidamide
CID 99975396
N-[1-(4-ethoxyphenyl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43876040

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide (CID 3139233) is N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide is CC(C)(C)NC(=O)CN(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is FITOBLKATPIGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-13(2,3)15-12(17)9-16(20(4,18)19)11-8-6-5-7-10(11)14/h5-8H,9H2,1-4H3,(H,15,17).
What are the key properties of N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3139233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).