N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide

C19H26FN3O3S — CID 72890592

IUPACN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1oncc1S(=O)(=O)N(C)CC1CCCN(CCc2ccccc2F)C1
InChIInChI=1S/C19H26FN3O3S/c1-15-19(12-21-26-15)27(24,25)22(2)13-16-6-5-10-23(14-16)11-9-17-7-3-4-8-18(17)20/h3-4,7-8,12,16H,5-6,9-11,13-14H2,1-2H3
InChIKeyVHFJIFKEOUWOKM-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.70
Rot. Bonds7

About N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 72890592) has the molecular formula C19H26FN3O3S and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID72890592
Molecular FormulaC19H26FN3O3S
Molecular Weight395.50 g/mol
Exact Mass395.17
IUPAC NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1oncc1S(=O)(=O)N(C)CC1CCCN(CCc2ccccc2F)C1
InChIInChI=1S/C19H26FN3O3S/c1-15-19(12-21-26-15)27(24,25)22(2)13-16-6-5-10-23(14-16)11-9-17-7-3-4-8-18(17)20/h3-4,7-8,12,16H,5-6,9-11,13-14H2,1-2H3
InChIKeyVHFJIFKEOUWOKM-UHFFFAOYSA-N
XLogP2.70
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 23723586
1-[(3R)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42522169
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72885850
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,3-trimethylbenzamide
CID 42195502
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45234391
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 25278684
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 122131288
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide
CID 45184990
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-morpholin-4-ylpropanamide
CID 26332764
1-[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-N-methylmethanamine
CID 45209714
N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylsulfamoyl]-N-methylethanamine
CID 97282112
3-(2-fluorophenyl)-N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylpropanamide
CID 42402093

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 72890592) is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1oncc1S(=O)(=O)N(C)CC1CCCN(CCc2ccccc2F)C1.
What is the InChIKey of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is VHFJIFKEOUWOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3S/c1-15-19(12-21-26-15)27(24,25)22(2)13-16-6-5-10-23(14-16)11-9-17-7-3-4-8-18(17)20/h3-4,7-8,12,16H,5-6,9-11,13-14H2,1-2H3.
What are the key properties of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 395.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 72890592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).