2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide

C21H23FN2O4S — CID 90592575

IUPAC2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H23FN2O4S/c1-23-20(25)14-29(27,28)19-10-12-24(13-11-19)21(26)17-4-2-15(3-5-17)16-6-8-18(22)9-7-16/h2-9,19H,10-14H2,1H3,(H,23,25)
InChIKeyRUKJYVDDOYUGTO-UHFFFAOYSA-N
MW418.49 g/mol
LogP2.26
Rot. Bonds5

About 2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592575) has the molecular formula C21H23FN2O4S and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592575
Molecular FormulaC21H23FN2O4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC Name2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H23FN2O4S/c1-23-20(25)14-29(27,28)19-10-12-24(13-11-19)21(26)17-4-2-15(3-5-17)16-6-8-18(22)9-7-16/h2-9,19H,10-14H2,1H3,(H,23,25)
InChIKeyRUKJYVDDOYUGTO-UHFFFAOYSA-N
XLogP2.26
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzamide
CID 9953268
4-Cyano-N-{(3s)-3-(4-Fluorophenyl)-3-[4-(Methylsulfonyl)phenyl]propyl}benzamide
CID 16725330
3-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]sulfonyl]benzamide
CID 11133309
4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-benzamide
CID 44475367
N-benzyl-4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]benzamide
CID 167458918
4-{4-[(2R)-2-fluoro-1-(propane-2-sulfonamido)propan-2-yl]phenyl}-N-methylbenzamide
CID 9952446
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-4-methanesulfonyl-benzamide
CID 44475368
N-[(2S)-1-[(4-cyano-1,1-dioxothian-4-yl)amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
CID 145989037
N,N-diethyl-4-((4-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10499145
N,N-Diethyl-4-[(2-fluoro-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10642670
N,N-Diethyl-4-[(4-methylsulfanyl-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10692042

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592575) is 2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is RUKJYVDDOYUGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4S/c1-23-20(25)14-29(27,28)19-10-12-24(13-11-19)21(26)17-4-2-15(3-5-17)16-6-8-18(22)9-7-16/h2-9,19H,10-14H2,1H3,(H,23,25).
What are the key properties of 2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 418.49 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-fluorophenyl)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).