2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide

C18H23FN4O4S — CID 8561821

IUPAC2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c(F)c1
InChIInChI=1S/C18H23FN4O4S/c1-12-4-5-16(15(19)10-12)20-17(24)11-23-14(3)18(13(2)21-23)28(25,26)22-6-8-27-9-7-22/h4-5,10H,6-9,11H2,1-3H3,(H,20,24)
InChIKeyXWLAKIFCZGAXAU-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.61
Rot. Bonds5

About 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 8561821) has the molecular formula C18H23FN4O4S and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID8561821
Molecular FormulaC18H23FN4O4S
Molecular Weight410.47 g/mol
Exact Mass410.14
IUPAC Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c(F)c1
InChIInChI=1S/C18H23FN4O4S/c1-12-4-5-16(15(19)10-12)20-17(24)11-23-14(3)18(13(2)21-23)28(25,26)22-6-8-27-9-7-22/h4-5,10H,6-9,11H2,1-3H3,(H,20,24)
InChIKeyXWLAKIFCZGAXAU-UHFFFAOYSA-N
XLogP1.61
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide (CID 8561821) is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(C)c(S(=O)(=O)N3CCOCC3)c2C)c(F)c1.
What is the InChIKey of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is XWLAKIFCZGAXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4S/c1-12-4-5-16(15(19)10-12)20-17(24)11-23-14(3)18(13(2)21-23)28(25,26)22-6-8-27-9-7-22/h4-5,10H,6-9,11H2,1-3H3,(H,20,24).
What are the key properties of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 410.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 8561821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).