2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide

C21H26FN3O3S — CID 132666094

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
SMILESCN1CCC(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O3S/c1-25-13-11-18(12-14-25)23-21(26)20(15-16-5-3-2-4-6-16)24-29(27,28)19-9-7-17(22)8-10-19/h2-10,18,20,24H,11-15H2,1H3,(H,23,26)
InChIKeyYYBBUVVNCOLAEV-UHFFFAOYSA-N
MW419.52 g/mol
LogP1.93
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide

2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide (PubChem CID 132666094) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
PubChem CID132666094
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
SMILESCN1CCC(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O3S/c1-25-13-11-18(12-14-25)23-21(26)20(15-16-5-3-2-4-6-16)24-29(27,28)19-9-7-17(22)8-10-19/h2-10,18,20,24H,11-15H2,1H3,(H,23,26)
InChIKeyYYBBUVVNCOLAEV-UHFFFAOYSA-N
XLogP1.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclooctyl-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541243
(2R)-2-[(4-fluorophenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 28540532
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 99967673
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 40931957
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 28540557
4-fluoro-N-[(2S)-1-[[(3R)-1-methylpyrrolidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 165121978
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
sodium (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 139844001
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide (CID 132666094) is 2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide is CN1CCC(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
The InChIKey is YYBBUVVNCOLAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-25-13-11-18(12-14-25)23-21(26)20(15-16-5-3-2-4-6-16)24-29(27,28)19-9-7-17(22)8-10-19/h2-10,18,20,24H,11-15H2,1H3,(H,23,26).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide has a molecular weight of 419.52 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 132666094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).