N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide

C18H21FN4O4S — CID 53175045

IUPACN-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C18H21FN4O4S/c1-28(25,26)21-15-4-7-17(20-12-15)27-13-18(24)23-10-8-22(9-11-23)16-5-2-14(19)3-6-16/h2-7,12,21H,8-11,13H2,1H3
InChIKeyCLWOQRWYKUADDZ-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.32
Rot. Bonds6

About N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide

N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide (PubChem CID 53175045) has the molecular formula C18H21FN4O4S and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide
PubChem CID53175045
Molecular FormulaC18H21FN4O4S
Molecular Weight408.46 g/mol
Exact Mass408.13
IUPAC NameN-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C18H21FN4O4S/c1-28(25,26)21-15-4-7-17(20-12-15)27-13-18(24)23-10-8-22(9-11-23)16-5-2-14(19)3-6-16/h2-7,12,21H,8-11,13H2,1H3
InChIKeyCLWOQRWYKUADDZ-UHFFFAOYSA-N
XLogP1.32
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-difluorophenoxy)-N-pyridin-3-ylacetamide
CID 571926
2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
CID 816069
1-[3-[(3R)-1-(dimethylsulfamoyl)piperidin-3-yl]oxy-5-fluorophenyl]-3-pyridin-3-ylurea
CID 56683872
N-[6-(2,4-difluorophenoxy)-5-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]ethanesulfonamide
CID 137635588
2-[4-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonylphenoxy]-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 153635800
2-[4-(1-piperidinylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamide
CID 2231055
N~2~-(4-ethoxyphenyl)-N~2~-(methylsulfonyl)-N-pyridin-3-ylalaninamide
CID 3147845
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[3-(methanesulfonamido)-2-pyridinyl]oxy]acetamide
CID 117835406
2-[4-(4-morpholinylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamide
CID 2230271
2-(2-fluorophenoxy)-N-(pyridin-3-yl)acetamide
CID 2329761
2-(2-fluorophenoxy)-N-((1-(pyridin-2-ylmethyl)piperidin-4-yl)methyl)acetamide
CID 16896087
1-(2-Ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47747456

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide (CID 53175045) is N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1.
What is the InChIKey of N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide?
The InChIKey is CLWOQRWYKUADDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O4S/c1-28(25,26)21-15-4-7-17(20-12-15)27-13-18(24)23-10-8-22(9-11-23)16-5-2-14(19)3-6-16/h2-7,12,21H,8-11,13H2,1H3.
What are the key properties of N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide?
N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide has a molecular weight of 408.46 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 53175045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).