N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide

C19H22FNO3S — CID 86992771

IUPACN-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c1-19(2,3)21(13-15-7-5-4-6-8-15)18(22)14-25(23,24)17-11-9-16(20)10-12-17/h4-12H,13-14H2,1-3H3
InChIKeyYVWGQEGIWQVFBO-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.43
Rot. Bonds5

About N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide

N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide (PubChem CID 86992771) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide
PubChem CID86992771
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC NameN-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3S/c1-19(2,3)21(13-15-7-5-4-6-8-15)18(22)14-25(23,24)17-11-9-16(20)10-12-17/h4-12H,13-14H2,1-3H3
InChIKeyYVWGQEGIWQVFBO-UHFFFAOYSA-N
XLogP3.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-ethylsulfonyl-N-[(3-fluorophenyl)methyl]acetamide
CID 71916976
2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 112795625
N-benzyl-N-ethyl-2-(4-methylphenyl)sulfonylacetamide
CID 17309418
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
N-benzyl-N-tert-butyl-2-(cyclopropylamino)acetamide
CID 54773142
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CID 78761130
N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 18581958
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
N-benzyl-2-[tert-butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060276
N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide
CID 2203262
2-(4-fluorophenyl)sulfonyl-1-(furan-2-yl)ethanone
CID 64643102
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide (CID 86992771) is N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide is CC(C)(C)N(Cc1ccccc1)C(=O)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide?
The InChIKey is YVWGQEGIWQVFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-19(2,3)21(13-15-7-5-4-6-8-15)18(22)14-25(23,24)17-11-9-16(20)10-12-17/h4-12H,13-14H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide?
N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 363.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 86992771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).