N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide

C19H27FN2O5S — CID 91906159

IUPACN-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O5S/c1-26-14-19(23)22(17-7-11-27-12-8-17)16-5-9-21(10-6-16)28(24,25)18-4-2-3-15(20)13-18/h2-4,13,16-17H,5-12,14H2,1H3
InChIKeyUFTMBXORUGFPDN-UHFFFAOYSA-N
MW414.50 g/mol
LogP1.63
Rot. Bonds6

About N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide

N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide (PubChem CID 91906159) has the molecular formula C19H27FN2O5S and a molecular weight of 414.50 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
PubChem CID91906159
Molecular FormulaC19H27FN2O5S
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC NameN-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H27FN2O5S/c1-26-14-19(23)22(17-7-11-27-12-8-17)16-5-9-21(10-6-16)28(24,25)18-4-2-3-15(20)13-18/h2-4,13,16-17H,5-12,14H2,1H3
InChIKeyUFTMBXORUGFPDN-UHFFFAOYSA-N
XLogP1.63
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide (CID 91906159) is N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide is COCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The InChIKey is UFTMBXORUGFPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O5S/c1-26-14-19(23)22(17-7-11-27-12-8-17)16-5-9-21(10-6-16)28(24,25)18-4-2-3-15(20)13-18/h2-4,13,16-17H,5-12,14H2,1H3.
What are the key properties of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide has a molecular weight of 414.50 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 91906159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).