3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide

C21H25FN2O4S — CID 55329553

IUPAC3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H25FN2O4S/c1-16-9-10-17(15-20(16)29(26,27)24-12-5-2-6-13-24)23-21(25)11-14-28-19-8-4-3-7-18(19)22/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,25)
InChIKeyBJINOTWSSMKJEM-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.72
Rot. Bonds7

About 3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide

3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55329553) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID55329553
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC Name3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccccc2F)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H25FN2O4S/c1-16-9-10-17(15-20(16)29(26,27)24-12-5-2-6-13-24)23-21(25)11-14-28-19-8-4-3-7-18(19)22/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,25)
InChIKeyBJINOTWSSMKJEM-UHFFFAOYSA-N
XLogP3.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7763032
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylphenoxy)propanamide
CID 9449724
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530317
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8901179
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 31009711
N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 9100423
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-pyrazol-1-ylpropanamide
CID 86979931

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide (CID 55329553) is 3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide is Cc1ccc(NC(=O)CCOc2ccccc2F)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is BJINOTWSSMKJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-16-9-10-17(15-20(16)29(26,27)24-12-5-2-6-13-24)23-21(25)11-14-28-19-8-4-3-7-18(19)22/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,23,25).
What are the key properties of 3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide?
3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 420.51 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55329553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).