N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide

C18H21F3N4O5S2 — CID 126796523

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide
SMILESCN(CCc1ccccn1)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C18H21F3N4O5S2/c1-25(11-9-14-4-2-3-10-22-14)17(26)12-23-31(27,28)15-5-7-16(8-6-15)32(29,30)24-13-18(19,20)21/h2-8,10,23-24H,9,11-13H2,1H3
InChIKeyHNAKRVXFPUMDLV-UHFFFAOYSA-N
MW494.52 g/mol
LogP0.90
Rot. Bonds10

About N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide

N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide (PubChem CID 126796523) has the molecular formula C18H21F3N4O5S2 and a molecular weight of 494.52 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide
PubChem CID126796523
Molecular FormulaC18H21F3N4O5S2
Molecular Weight494.52 g/mol
Exact Mass494.09
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide
SMILESCN(CCc1ccccn1)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C18H21F3N4O5S2/c1-25(11-9-14-4-2-3-10-22-14)17(26)12-23-31(27,28)15-5-7-16(8-6-15)32(29,30)24-13-18(19,20)21/h2-8,10,23-24H,9,11-13H2,1H3
InChIKeyHNAKRVXFPUMDLV-UHFFFAOYSA-N
XLogP0.90
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide with MolForge

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993738
5-(ethylsulfamoyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 134008752
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
1-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119873315
(2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride
CID 119873322
4-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 120565270
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43156182
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 134008758
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
2-N-methyl-2-N-(2-pyridin-2-ylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62557484

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide (CID 126796523) is N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide is CN(CCc1ccccn1)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide?
The InChIKey is HNAKRVXFPUMDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O5S2/c1-25(11-9-14-4-2-3-10-22-14)17(26)12-23-31(27,28)15-5-7-16(8-6-15)32(29,30)24-13-18(19,20)21/h2-8,10,23-24H,9,11-13H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide?
N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide has a molecular weight of 494.52 g/mol, XLogP of 0.90, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-2-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 126796523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).