N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H19F3N4O5S — CID 4833032

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H19F3N4O5S/c1-28-13-3-2-12(10-14(13)30(26,27)24-6-8-29-9-7-24)21-16(25)11-23-5-4-15(22-23)17(18,19)20/h2-5,10H,6-9,11H2,1H3,(H,21,25)
InChIKeyJCKJZTBYJQFLTL-UHFFFAOYSA-N
MW448.42 g/mol
LogP1.57
Rot. Bonds6

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4833032) has the molecular formula C17H19F3N4O5S and a molecular weight of 448.42 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4833032
Molecular FormulaC17H19F3N4O5S
Molecular Weight448.42 g/mol
Exact Mass448.10
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H19F3N4O5S/c1-28-13-3-2-12(10-14(13)30(26,27)24-6-8-29-9-7-24)21-16(25)11-23-5-4-15(22-23)17(18,19)20/h2-5,10H,6-9,11H2,1H3,(H,21,25)
InChIKeyJCKJZTBYJQFLTL-UHFFFAOYSA-N
XLogP1.57
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4833032) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is JCKJZTBYJQFLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O5S/c1-28-13-3-2-12(10-14(13)30(26,27)24-6-8-29-9-7-24)21-16(25)11-23-5-4-15(22-23)17(18,19)20/h2-5,10H,6-9,11H2,1H3,(H,21,25).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 448.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4833032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).