N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide

C20H24FN3O3S — CID 86962189

IUPACN-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)NC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C20H24FN3O3S/c1-28(26,27)23-19-10-3-2-6-15(19)12-20(25)22-17-8-5-11-24(14-17)18-9-4-7-16(21)13-18/h2-4,6-7,9-10,13,17,23H,5,8,11-12,14H2,1H3,(H,22,25)
InChIKeySTFAHVZHZXULJM-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.52
Rot. Bonds6

About N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide

N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide (PubChem CID 86962189) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
PubChem CID86962189
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC NameN-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)NC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C20H24FN3O3S/c1-28(26,27)23-19-10-3-2-6-15(19)12-20(25)22-17-8-5-11-24(14-17)18-9-4-7-16(21)13-18/h2-4,6-7,9-10,13,17,23H,5,8,11-12,14H2,1H3,(H,22,25)
InChIKeySTFAHVZHZXULJM-UHFFFAOYSA-N
XLogP2.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119884178
4-amino-N-[1-(3-fluorophenyl)piperidin-3-yl]pentanamide;dihydrochloride
CID 120565548
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methylquinoline-3-carboxamide
CID 86961456
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935166
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95980409
2-amino-N-[[2-[[(3R)-1-(3-fluorophenyl)piperidin-3-yl]amino]-4-piperidin-1-ylphenyl]methyl]acetamide
CID 171539907
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 99274476
1-[[1-(3-fluorophenyl)piperidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122820

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide (CID 86962189) is N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1ccccc1CC(=O)NC1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The InChIKey is STFAHVZHZXULJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-28(26,27)23-19-10-3-2-6-15(19)12-20(25)22-17-8-5-11-24(14-17)18-9-4-7-16(21)13-18/h2-4,6-7,9-10,13,17,23H,5,8,11-12,14H2,1H3,(H,22,25).
What are the key properties of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-[2-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 86962189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).