N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C22H26F3N3O3S — CID 55416151

IUPACN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H26F3N3O3S/c1-27(16-17-8-10-19(11-9-17)28-12-3-2-4-13-28)21(29)15-26-32(30,31)20-7-5-6-18(14-20)22(23,24)25/h5-11,14,26H,2-4,12-13,15-16H2,1H3
InChIKeyKZEMSPQOBVPZLA-UHFFFAOYSA-N
MW469.53 g/mol
LogP3.63
Rot. Bonds7

About N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 55416151) has the molecular formula C22H26F3N3O3S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID55416151
Molecular FormulaC22H26F3N3O3S
Molecular Weight469.53 g/mol
Exact Mass469.16
IUPAC NameN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H26F3N3O3S/c1-27(16-17-8-10-19(11-9-17)28-12-3-2-4-13-28)21(29)15-26-32(30,31)20-7-5-6-18(14-20)22(23,24)25/h5-11,14,26H,2-4,12-13,15-16H2,1H3
InChIKeyKZEMSPQOBVPZLA-UHFFFAOYSA-N
XLogP3.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55328980
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78781511
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 31661125
tert-butyl 2-[methyl-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]acetate
CID 56548130
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55414677
N-benzyl-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545974
N-(3-amino-4-methylpentyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide;hydrochloride
CID 119660989
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 7202474
N-(2-methoxyphenyl)-N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548694
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550778

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 55416151) is N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is KZEMSPQOBVPZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3S/c1-27(16-17-8-10-19(11-9-17)28-12-3-2-4-13-28)21(29)15-26-32(30,31)20-7-5-6-18(14-20)22(23,24)25/h5-11,14,26H,2-4,12-13,15-16H2,1H3.
What are the key properties of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 469.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 55416151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).