3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide

C21H25FN2O3S — CID 9428151

IUPAC3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3F)cc2)CC1
InChIInChI=1S/C21H25FN2O3S/c1-16-12-14-24(15-13-16)28(26,27)19-9-7-18(8-10-19)23-21(25)11-6-17-4-2-3-5-20(17)22/h2-5,7-10,16H,6,11-15H2,1H3,(H,23,25)
InChIKeySHOWZAROKFOQJP-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.82
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide

3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (PubChem CID 9428151) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
PubChem CID9428151
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3F)cc2)CC1
InChIInChI=1S/C21H25FN2O3S/c1-16-12-14-24(15-13-16)28(26,27)19-9-7-18(8-10-19)23-21(25)11-6-17-4-2-3-5-20(17)22/h2-5,7-10,16H,6,11-15H2,1H3,(H,23,25)
InChIKeySHOWZAROKFOQJP-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
3-(2-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556359
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 2976005
2-(4-fluorophenyl)sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 9492775
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-naphthalen-2-yloxyacetamide
CID 1010620
3-(2-fluorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737007
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 2975834
2-(4-benzylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3229482
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide (CID 9428151) is 3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3F)cc2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
The InChIKey is SHOWZAROKFOQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-16-12-14-24(15-13-16)28(26,27)19-9-7-18(8-10-19)23-21(25)11-6-17-4-2-3-5-20(17)22/h2-5,7-10,16H,6,11-15H2,1H3,(H,23,25).
What are the key properties of 3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide?
3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide is sourced from PubChem (CID 9428151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).