N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C19H28F3N3O3S — CID 56548903

IUPACN-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCC1CCN(CCCCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H28F3N3O3S/c1-15-7-11-25(12-8-15)10-3-2-9-23-18(26)14-24-29(27,28)17-6-4-5-16(13-17)19(20,21)22/h4-6,13,15,24H,2-3,7-12,14H2,1H3,(H,23,26)
InChIKeyULHFVIJTCMNQLA-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.61
Rot. Bonds9

About N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 56548903) has the molecular formula C19H28F3N3O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID56548903
Molecular FormulaC19H28F3N3O3S
Molecular Weight435.51 g/mol
Exact Mass435.18
IUPAC NameN-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCC1CCN(CCCCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H28F3N3O3S/c1-15-7-11-25(12-8-15)10-3-2-9-23-18(26)14-24-29(27,28)17-6-4-5-16(13-17)19(20,21)22/h4-6,13,15,24H,2-3,7-12,14H2,1H3,(H,23,26)
InChIKeyULHFVIJTCMNQLA-UHFFFAOYSA-N
XLogP2.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119170505
N-(2-ethylsulfonylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550783
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78780752
N-[2-(ethylamino)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 119509116
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55547144
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548668
N-[2-(2,6-difluorophenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56549006
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55414677
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(trifluoromethyl)benzenesulfonamide
CID 21092268
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55337425
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55716702

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 56548903) is N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is CC1CCN(CCCCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is ULHFVIJTCMNQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O3S/c1-15-7-11-25(12-8-15)10-3-2-9-23-18(26)14-24-29(27,28)17-6-4-5-16(13-17)19(20,21)22/h4-6,13,15,24H,2-3,7-12,14H2,1H3,(H,23,26).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 435.51 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)butyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 56548903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).