N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C15H16F3N3O4S — CID 155953596

IUPACN-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCOc1ccccc1CS(=O)(=O)NC(=O)C(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O4S/c1-10(21-8-7-13(19-21)15(16,17)18)14(22)20-26(23,24)9-11-5-3-4-6-12(11)25-2/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyRNDGYUMOZJPIJH-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.12
Rot. Bonds6

About N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 155953596) has the molecular formula C15H16F3N3O4S and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID155953596
Molecular FormulaC15H16F3N3O4S
Molecular Weight391.37 g/mol
Exact Mass391.08
IUPAC NameN-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCOc1ccccc1CS(=O)(=O)NC(=O)C(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O4S/c1-10(21-8-7-13(19-21)15(16,17)18)14(22)20-26(23,24)9-11-5-3-4-6-12(11)25-2/h3-8,10H,9H2,1-2H3,(H,20,22)
InChIKeyRNDGYUMOZJPIJH-UHFFFAOYSA-N
XLogP2.12
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methoxyphenyl)methylsulfonylcarbamic acid
CID 141426793
N-[3-(methylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 136556916
(2S)-N-(2-methylsulfanylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 96540208
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147775
N-[4-(methoxymethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 136557445
(2R)-N-(1,2-oxazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35327611
N-[(2-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 3662930
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
2-acetamido-3-[(2-methoxyphenyl)methylsulfonyl]propanoic acid
CID 107768303
2-methoxy-N-[3-oxo-3-[2-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinyl]propyl]benzamide
CID 24979775
1-[5-[(2-aminopropanoylamino)methyl]thiophen-2-yl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 69299677
2,2,2-trifluoro-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 143860168

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 155953596) is N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is COc1ccccc1CS(=O)(=O)NC(=O)C(C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is RNDGYUMOZJPIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4S/c1-10(21-8-7-13(19-21)15(16,17)18)14(22)20-26(23,24)9-11-5-3-4-6-12(11)25-2/h3-8,10H,9H2,1-2H3,(H,20,22).
What are the key properties of N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 391.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 155953596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).