2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide

C23H23FN2O3S — CID 22304214

IUPAC2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)c2cc(F)ccc2NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-16-8-11-20(12-9-16)30(28,29)22-14-19(24)10-13-21(22)25-15-23(27)26-17(2)18-6-4-3-5-7-18/h3-14,17,25H,15H2,1-2H3,(H,26,27)
InChIKeyIJFPPTAPNPEZNW-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.26
Rot. Bonds7

About 2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide

2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide (PubChem CID 22304214) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide
PubChem CID22304214
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(S(=O)(=O)c2cc(F)ccc2NCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-16-8-11-20(12-9-16)30(28,29)22-14-19(24)10-13-21(22)25-15-23(27)26-17(2)18-6-4-3-5-7-18/h3-14,17,25H,15H2,1-2H3,(H,26,27)
InChIKeyIJFPPTAPNPEZNW-UHFFFAOYSA-N
XLogP4.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9099533
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
2-(2,5-dimethyl-3-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 22303955
2-[2-(benzenesulfonyl)-4-fluoroanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 22305034
2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95278200
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54812168
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 112992360
2-(4-cyano-2-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 99637714
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9426580
2-(4-cyano-2-fluoroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 99637713
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide (CID 22304214) is 2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide is Cc1ccc(S(=O)(=O)c2cc(F)ccc2NCC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide?
The InChIKey is IJFPPTAPNPEZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-16-8-11-20(12-9-16)30(28,29)22-14-19(24)10-13-21(22)25-15-23(27)26-17(2)18-6-4-3-5-7-18/h3-14,17,25H,15H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide?
2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide has a molecular weight of 426.51 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 22304214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).