2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

C14H21FN2O3S — CID 113152857

IUPAC2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(C)(C)N(CC(=O)NCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-14(2,3)17(21(4,19)20)10-13(18)16-9-11-7-5-6-8-12(11)15/h5-8H,9-10H2,1-4H3,(H,16,18)
InChIKeyNNLXRUOVOSHFLS-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.50
Rot. Bonds5

About 2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113152857) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113152857
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(C)(C)N(CC(=O)NCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C14H21FN2O3S/c1-14(2,3)17(21(4,19)20)10-13(18)16-9-11-7-5-6-8-12(11)15/h5-8H,9-10H2,1-4H3,(H,16,18)
InChIKeyNNLXRUOVOSHFLS-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113152861
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
N-[(2-fluorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151835
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113156780
2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113149028
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 8695272
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
3-[tert-butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113140802
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 3594757

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (CID 113152857) is 2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is CC(C)(C)N(CC(=O)NCc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is NNLXRUOVOSHFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-14(2,3)17(21(4,19)20)10-13(18)16-9-11-7-5-6-8-12(11)15/h5-8H,9-10H2,1-4H3,(H,16,18).
What are the key properties of 2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113152857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).