3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

C17H20N2O4S2 — CID 4882207

IUPAC3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O4S2/c20-16(8-13-23-15-5-2-1-3-6-15)18-9-11-19(12-10-18)25(21,22)17-7-4-14-24-17/h1-7,14H,8-13H2
InChIKeyUKBUMWYEYIGBMP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.05
Rot. Bonds6

About 3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 4882207) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID4882207
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O4S2/c20-16(8-13-23-15-5-2-1-3-6-15)18-9-11-19(12-10-18)25(21,22)17-7-4-14-24-17/h1-7,14H,8-13H2
InChIKeyUKBUMWYEYIGBMP-UHFFFAOYSA-N
XLogP2.05
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one (CID 4882207) is 3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one is O=C(CCOc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is UKBUMWYEYIGBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c20-16(8-13-23-15-5-2-1-3-6-15)18-9-11-19(12-10-18)25(21,22)17-7-4-14-24-17/h1-7,14H,8-13H2.
What are the key properties of 3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 380.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 4882207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).