2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide

C13H19F3N4O4S — CID 75386927

IUPAC2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C13H19F3N4O4S/c1-19(8-12(21)17-9-13(14,15)16)25(22,23)11-6-18-20(7-11)10-2-4-24-5-3-10/h6-7,10H,2-5,8-9H2,1H3,(H,17,21)
InChIKeyBCUDTORHXCROSC-UHFFFAOYSA-N
MW384.38 g/mol
LogP0.53
Rot. Bonds6

About 2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75386927) has the molecular formula C13H19F3N4O4S and a molecular weight of 384.38 g/mol. Its IUPAC name is 2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75386927
Molecular FormulaC13H19F3N4O4S
Molecular Weight384.38 g/mol
Exact Mass384.11
IUPAC Name2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cnn(C2CCOCC2)c1
InChIInChI=1S/C13H19F3N4O4S/c1-19(8-12(21)17-9-13(14,15)16)25(22,23)11-6-18-20(7-11)10-2-4-24-5-3-10/h6-7,10H,2-5,8-9H2,1H3,(H,17,21)
InChIKeyBCUDTORHXCROSC-UHFFFAOYSA-N
XLogP0.53
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 40150216
4,4-difluoro-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120350375
4,4-difluoro-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]pyrrolidine-2-carboxamide
CID 120350376
2-[2-Acetamidoethyl-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylamino]propanoic acid
CID 120398885
2-[2-Acetamidoethyl-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylamino]propanoic acid
CID 120404082
N-(3-amino-2,2-difluoropropyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide;hydrochloride
CID 120404519
N-(3-amino-2,2-difluoropropyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 120404520
N-(3-amino-2,2-difluoropropyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
CID 120409424
N-(3-amino-2,2-difluoropropyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide
CID 120409425
N-(3-amino-2,2-difluoropropyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 120411429
N-(3-amino-2,2-difluoropropyl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
CID 120411430
1-[1-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]piperazin-2-one;hydrochloride
CID 120712901

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 75386927) is 2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cnn(C2CCOCC2)c1.
What is the InChIKey of 2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BCUDTORHXCROSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O4S/c1-19(8-12(21)17-9-13(14,15)16)25(22,23)11-6-18-20(7-11)10-2-4-24-5-3-10/h6-7,10H,2-5,8-9H2,1H3,(H,17,21).
What are the key properties of 2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 384.38 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(oxan-4-yl)pyrazol-4-yl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75386927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).