2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C19H25FN4O4S — CID 55682492

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(C(=O)Nc1cc(C)on1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN4O4S/c1-3-17(19(25)21-18-12-13(2)28-22-18)24-10-8-15(9-11-24)23-29(26,27)16-6-4-14(20)5-7-16/h4-7,12,15,17,23H,3,8-11H2,1-2H3,(H,21,22,25)
InChIKeyOHHMDLMZPMSLOP-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.28
Rot. Bonds7

About 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 55682492) has the molecular formula C19H25FN4O4S and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID55682492
Molecular FormulaC19H25FN4O4S
Molecular Weight424.50 g/mol
Exact Mass424.16
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(C(=O)Nc1cc(C)on1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN4O4S/c1-3-17(19(25)21-18-12-13(2)28-22-18)24-10-8-15(9-11-24)23-29(26,27)16-6-4-14(20)5-7-16/h4-7,12,15,17,23H,3,8-11H2,1-2H3,(H,21,22,25)
InChIKeyOHHMDLMZPMSLOP-UHFFFAOYSA-N
XLogP2.28
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide with MolForge

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Related Compounds

2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 47060155
4-(cyclopentylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 44754126
4-(cyclohexylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109059591
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3R)-2-oxoazepan-3-yl]piperazin-1-yl]butanamide
CID 95785782
N-[2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55960755
(2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 95282319
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
CID 97025158
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
CID 100871755
1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
CID 32687753
4-fluoro-N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 38812623
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 95288126

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 55682492) is 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCC(C(=O)Nc1cc(C)on1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is OHHMDLMZPMSLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O4S/c1-3-17(19(25)21-18-12-13(2)28-22-18)24-10-8-15(9-11-24)23-29(26,27)16-6-4-14(20)5-7-16/h4-7,12,15,17,23H,3,8-11H2,1-2H3,(H,21,22,25).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 424.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 55682492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).