2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide

C22H27FN2O3S — CID 32545358

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide
SMILESCN(CC(=O)NCC1(c2ccccc2)CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O3S/c1-25(29(27,28)20-12-10-19(23)11-13-20)16-21(26)24-17-22(14-6-3-7-15-22)18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-17H2,1H3,(H,24,26)
InChIKeyWOCZSRZUEXTFNU-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.46
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide (PubChem CID 32545358) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide
PubChem CID32545358
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide
SMILESCN(CC(=O)NCC1(c2ccccc2)CCCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O3S/c1-25(29(27,28)20-12-10-19(23)11-13-20)16-21(26)24-17-22(14-6-3-7-15-22)18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-17H2,1H3,(H,24,26)
InChIKeyWOCZSRZUEXTFNU-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 46700398
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128278
2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
CID 122120195
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
CID 87014302
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9483045
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935171
2-[benzenesulfonyl(methyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120888886
3-[4-(methylsulfamoyl)phenyl]-N-[(1-phenylcyclohexyl)methyl]propanamide
CID 32545458
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 87016543
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 34557487

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide (CID 32545358) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide is CN(CC(=O)NCC1(c2ccccc2)CCCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide?
The InChIKey is WOCZSRZUEXTFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-25(29(27,28)20-12-10-19(23)11-13-20)16-21(26)24-17-22(14-6-3-7-15-22)18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-17H2,1H3,(H,24,26).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide has a molecular weight of 418.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 32545358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).