2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide

C20H23FN2O4S — CID 8700396

IUPAC2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)COc3cccc(F)c3)cc2)C1
InChIInChI=1S/C20H23FN2O4S/c1-15-4-3-11-23(13-15)28(25,26)19-9-7-17(8-10-19)22-20(24)14-27-18-6-2-5-16(21)12-18/h2,5-10,12,15H,3-4,11,13-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyJCUVMVSOAQFZMT-HNNXBMFYSA-N
MW406.48 g/mol
LogP3.26
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide

2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 8700396) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID8700396
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESC[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)COc3cccc(F)c3)cc2)C1
InChIInChI=1S/C20H23FN2O4S/c1-15-4-3-11-23(13-15)28(25,26)19-9-7-17(8-10-19)22-20(24)14-27-18-6-2-5-16(21)12-18/h2,5-10,12,15H,3-4,11,13-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyJCUVMVSOAQFZMT-HNNXBMFYSA-N
XLogP3.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17311952
2-cyclohexyloxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51958298
N-[3-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethoxy]phenyl]propanamide
CID 18870292
N-[3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55630475
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-naphthalen-2-yloxyacetamide
CID 1010620
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 4510832
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3543964
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 17192773

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide (CID 8700396) is 2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide is C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)COc3cccc(F)c3)cc2)C1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is JCUVMVSOAQFZMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-15-4-3-11-23(13-15)28(25,26)19-9-7-17(8-10-19)22-20(24)14-27-18-6-2-5-16(21)12-18/h2,5-10,12,15H,3-4,11,13-14H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 8700396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).