2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

C12H16F3N3O3S — CID 68732064

IUPAC2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCNS(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O3S/c1-4-17-22(20,21)11(2,3)10(19)18-9-6-5-8(7-16-9)12(13,14)15/h5-7,17H,4H2,1-3H3,(H,16,18,19)
InChIKeyMKQQYRCIGNMDBC-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.76
Rot. Bonds5

About 2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide

2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 68732064) has the molecular formula C12H16F3N3O3S and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID68732064
Molecular FormulaC12H16F3N3O3S
Molecular Weight339.34 g/mol
Exact Mass339.09
IUPAC Name2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCNS(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O3S/c1-4-17-22(20,21)11(2,3)10(19)18-9-6-5-8(7-16-9)12(13,14)15/h5-7,17H,4H2,1-3H3,(H,16,18,19)
InChIKeyMKQQYRCIGNMDBC-UHFFFAOYSA-N
XLogP1.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Velneperit
CID 20629114
N-[(4-Methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)carbamoyl]-3-(trifluoromethyl)pyridine-2-sulfonamide
CID 139594374
2-(Pivaloylamino)pyridine
CID 1051519
2-Acetylamino-3,3,3-trifluoro-2-(5-methyl-pyridin-2-ylamino)-propionic acid methyl ester
CID 609233
6-Methoxy-2-((3-(trifluoromethyl)pyridin-2-yl)amino)pyrimidin-4-ol
CID 57495160
Htpu (ssre-020)
CID 139596377
1-(4-Methylphenyl)sulfonyl-3-(5-methyl-2-pyridinyl)urea
CID 4062849
1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-[5-(trifluoromethyl)pyridin-2-yl]urea
CID 118409078
2-Acetamido-3-methylpyridine
CID 268295
N-(4-Methyl-2-pyridyl)acetamide
CID 220485
1-acetyl-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide
CID 6469269
N-[2,2,2-Trifluoro-1-(4-methyl-pyridin-2-ylamino)-1-trifluoromethyl-ethyl]-isobutyramide
CID 913318

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 68732064) is 2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is CCNS(=O)(=O)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is MKQQYRCIGNMDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3S/c1-4-17-22(20,21)11(2,3)10(19)18-9-6-5-8(7-16-9)12(13,14)15/h5-7,17H,4H2,1-3H3,(H,16,18,19).
What are the key properties of 2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 339.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 68732064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).