2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide

C17H21N3O4S — CID 167855535

IUPAC2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide
SMILESCn1ccc(CC(=O)Nc2ccc(S(=O)(=O)CC3CCOC3)cc2)n1
InChIInChI=1S/C17H21N3O4S/c1-20-8-6-15(19-20)10-17(21)18-14-2-4-16(5-3-14)25(22,23)12-13-7-9-24-11-13/h2-6,8,13H,7,9-12H2,1H3,(H,18,21)
InChIKeyLTEYUASJYLJKHD-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.41
Rot. Bonds6

About 2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide

2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide (PubChem CID 167855535) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide
PubChem CID167855535
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide
SMILESCn1ccc(CC(=O)Nc2ccc(S(=O)(=O)CC3CCOC3)cc2)n1
InChIInChI=1S/C17H21N3O4S/c1-20-8-6-15(19-20)10-17(21)18-14-2-4-16(5-3-14)25(22,23)12-13-7-9-24-11-13/h2-6,8,13H,7,9-12H2,1H3,(H,18,21)
InChIKeyLTEYUASJYLJKHD-UHFFFAOYSA-N
XLogP1.41
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide (CID 167855535) is 2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide is Cn1ccc(CC(=O)Nc2ccc(S(=O)(=O)CC3CCOC3)cc2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide?
The InChIKey is LTEYUASJYLJKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-20-8-6-15(19-20)10-17(21)18-14-2-4-16(5-3-14)25(22,23)12-13-7-9-24-11-13/h2-6,8,13H,7,9-12H2,1H3,(H,18,21).
What are the key properties of 2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide?
2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-N-[4-(oxolan-3-ylmethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 167855535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).