N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide

C22H25FN2O3S — CID 1278213

IUPACN-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC23CCC(CC2)C3)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FN2O3S/c1-16-2-6-19(7-3-16)25(29(27,28)20-8-4-18(23)5-9-20)15-21(26)24-22-12-10-17(14-22)11-13-22/h2-9,17H,10-15H2,1H3,(H,24,26)
InChIKeyYIWFILJPBDOJIW-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.78
Rot. Bonds6

About N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide

N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 1278213) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID1278213
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC NameN-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC23CCC(CC2)C3)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FN2O3S/c1-16-2-6-19(7-3-16)25(29(27,28)20-8-4-18(23)5-9-20)15-21(26)24-22-12-10-17(14-22)11-13-22/h2-9,17H,10-15H2,1H3,(H,24,26)
InChIKeyYIWFILJPBDOJIW-UHFFFAOYSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1109471
N-cyclopentyl-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102315
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172029
N-(1-adamantyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3920584
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 98221561
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377
N-(2,4-dimethylpentan-3-yl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 51344897
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1357592
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3949286
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide
CID 21372246

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide (CID 1278213) is N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide is Cc1ccc(N(CC(=O)NC23CCC(CC2)C3)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is YIWFILJPBDOJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c1-16-2-6-19(7-3-16)25(29(27,28)20-8-4-18(23)5-9-20)15-21(26)24-22-12-10-17(14-22)11-13-22/h2-9,17H,10-15H2,1H3,(H,24,26).
What are the key properties of N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide?
N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 416.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.1]heptanyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 1278213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).