N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide

C17H18F3N3O4S — CID 142249155

IUPACN-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
SMILESCNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C17H18F3N3O4S/c1-11-3-8-14(16(25)23(11)9-15(24)21-2)22-28(26,27)10-12-4-6-13(7-5-12)17(18,19)20/h3-8,22H,9-10H2,1-2H3,(H,21,24)
InChIKeyZRPNECBMTXAVNE-UHFFFAOYSA-N
MW417.41 g/mol
LogP1.86
Rot. Bonds6

About N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide

N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide (PubChem CID 142249155) has the molecular formula C17H18F3N3O4S and a molecular weight of 417.41 g/mol. Its IUPAC name is N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
PubChem CID142249155
Molecular FormulaC17H18F3N3O4S
Molecular Weight417.41 g/mol
Exact Mass417.10
IUPAC NameN-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
SMILESCNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C17H18F3N3O4S/c1-11-3-8-14(16(25)23(11)9-15(24)21-2)22-28(26,27)10-12-4-6-13(7-5-12)17(18,19)20/h3-8,22H,9-10H2,1-2H3,(H,21,24)
InChIKeyZRPNECBMTXAVNE-UHFFFAOYSA-N
XLogP1.86
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylsulfonylamino-2-oxo-6-phenyl-1,2-dihydro-1-pyridyl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide
CID 10027816
N-(4-Amino-cyclohexylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44283905
2-(2-Oxo-6-phenyl-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10325233
N-Benzyl-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44344067
N-(4-Aminomethyl-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 44344069
N-(2,2-difluoroethyl)-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 46870660
2-(methanesulfonamido)-N-[4-(4-methylphenyl)-2-oct-1-ynyl-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridin-5-yl]acetamide
CID 122362901
N-(3-Guanidino-3-oxo-propyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
CID 9889864
US10125125, Example 178
CID 117696723
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8748522
N-[(2,5-Difluorophenyl)methyl]-2-(3-ethanesulfonamido-6-methyl-2-oxo-1,2-dihydropyridin-1-YL)acetamide
CID 91903338
N-(2-acetamidoethyl)-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 122192532

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
The IUPAC name of N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide (CID 142249155) is N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide.
What is the SMILES notation for N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
The canonical SMILES for N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide is CNC(=O)Cn1c(C)ccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
The InChIKey is ZRPNECBMTXAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4S/c1-11-3-8-14(16(25)23(11)9-15(24)21-2)22-28(26,27)10-12-4-6-13(7-5-12)17(18,19)20/h3-8,22H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide?
N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide has a molecular weight of 417.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-methyl-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide is sourced from PubChem (CID 142249155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).