2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide

C22H21FN2O3S — CID 2888862

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FN2O3S/c1-17(18-8-4-2-5-9-18)24-22(26)16-25(20-14-12-19(23)13-15-20)29(27,28)21-10-6-3-7-11-21/h2-15,17H,16H2,1H3,(H,24,26)
InChIKeyPBQSEDYIRUFVEK-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.90
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide (PubChem CID 2888862) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
PubChem CID2888862
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FN2O3S/c1-17(18-8-4-2-5-9-18)24-22(26)16-25(20-14-12-19(23)13-15-20)29(27,28)21-10-6-3-7-11-21/h2-15,17H,16H2,1H3,(H,24,26)
InChIKeyPBQSEDYIRUFVEK-UHFFFAOYSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304312
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43902042
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 40899188
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43902194
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 92677059
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92671858
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 4258706
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304561
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30227660
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896673

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide (CID 2888862) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide?
The InChIKey is PBQSEDYIRUFVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-17(18-8-4-2-5-9-18)24-22(26)16-25(20-14-12-19(23)13-15-20)29(27,28)21-10-6-3-7-11-21/h2-15,17H,16H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2888862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).