2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H12F3N3O3S — CID 47029650

IUPAC2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cccnc1
InChIInChI=1S/C10H12F3N3O3S/c1-16(6-9(17)15-7-10(11,12)13)20(18,19)8-3-2-4-14-5-8/h2-5H,6-7H2,1H3,(H,15,17)
InChIKeyJIYRNQUPHIOOSC-UHFFFAOYSA-N
MW311.29 g/mol
LogP0.38
Rot. Bonds5

About 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47029650) has the molecular formula C10H12F3N3O3S and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47029650
Molecular FormulaC10H12F3N3O3S
Molecular Weight311.29 g/mol
Exact Mass311.06
IUPAC Name2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cccnc1
InChIInChI=1S/C10H12F3N3O3S/c1-16(6-9(17)15-7-10(11,12)13)20(18,19)8-3-2-4-14-5-8/h2-5H,6-7H2,1H3,(H,15,17)
InChIKeyJIYRNQUPHIOOSC-UHFFFAOYSA-N
XLogP0.38
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
CID 120830025
2-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526439
2-[methyl(1-pyridin-3-ylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71906399
N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119569250
(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 119357610
N-[[2-(difluoromethoxy)phenyl]methyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55665911
3-fluoro-4-methyl-N-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethyl]benzamide
CID 55666059
N-[2-(2-methoxyphenyl)ethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55666194
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55850501

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 47029650) is 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cccnc1.
What is the InChIKey of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JIYRNQUPHIOOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3S/c1-16(6-9(17)15-7-10(11,12)13)20(18,19)8-3-2-4-14-5-8/h2-5H,6-7H2,1H3,(H,15,17).
What are the key properties of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 311.29 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47029650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).