N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide

C18H22FN3O3S2 — CID 86966202

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)CNS(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C18H22FN3O3S2/c1-13-6-7-15(19)16(10-13)22-8-2-4-14(12-22)21-17(23)11-20-27(24,25)18-5-3-9-26-18/h3,5-7,9-10,14,20H,2,4,8,11-12H2,1H3,(H,21,23)
InChIKeyISVVWKQPTQHJLZ-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.26
Rot. Bonds6

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 86966202) has the molecular formula C18H22FN3O3S2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID86966202
Molecular FormulaC18H22FN3O3S2
Molecular Weight411.52 g/mol
Exact Mass411.11
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)CNS(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C18H22FN3O3S2/c1-13-6-7-15(19)16(10-13)22-8-2-4-14(12-22)21-17(23)11-20-27(24,25)18-5-3-9-26-18/h3,5-7,9-10,14,20H,2,4,8,11-12H2,1H3,(H,21,23)
InChIKeyISVVWKQPTQHJLZ-UHFFFAOYSA-N
XLogP2.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 86965159
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
CID 86966256
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide
CID 86965351
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(4-fluorophenyl)sulfonylbutanamide
CID 86965350
(2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86966235
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]methanesulfonamide
CID 95629495
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86965296
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86966897

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide (CID 86966202) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide is Cc1ccc(F)c(N2CCCC(NC(=O)CNS(=O)(=O)c3cccs3)C2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is ISVVWKQPTQHJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S2/c1-13-6-7-15(19)16(10-13)22-8-2-4-14(12-22)21-17(23)11-20-27(24,25)18-5-3-9-26-18/h3,5-7,9-10,14,20H,2,4,8,11-12H2,1H3,(H,21,23).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 411.52 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 86966202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).