2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid

C16H18N2O5S2 — CID 139618989

IUPAC2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C16H18N2O5S2/c19-15(20)12-23-14-4-1-3-13(11-14)17-6-8-18(9-7-17)25(21,22)16-5-2-10-24-16/h1-5,10-11H,6-9,12H2,(H,19,20)
InChIKeyNCVXKSPWWXDDRN-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.72
Rot. Bonds6

About 2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid

2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid (PubChem CID 139618989) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid
PubChem CID139618989
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C16H18N2O5S2/c19-15(20)12-23-14-4-1-3-13(11-14)17-6-8-18(9-7-17)25(21,22)16-5-2-10-24-16/h1-5,10-11H,6-9,12H2,(H,19,20)
InChIKeyNCVXKSPWWXDDRN-UHFFFAOYSA-N
XLogP1.72
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 8924494
(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217500
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2971497
2-(4-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 7750224
4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 9161620
1-(1,3-benzodioxol-5-yl)-4-thiophen-2-ylsulfonylpiperazine
CID 113079667
(2S)-2-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenyl]propane-1,2-diol
CID 70659611
2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid
CID 22399413
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 113078798
2-methyl-2-phenoxy-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 110346389
1-(3-methoxyphenyl)-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42652474
3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypropanoic acid
CID 63877371

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid (CID 139618989) is 2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid is O=C(O)COc1cccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of 2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid?
The InChIKey is NCVXKSPWWXDDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c19-15(20)12-23-14-4-1-3-13(11-14)17-6-8-18(9-7-17)25(21,22)16-5-2-10-24-16/h1-5,10-11H,6-9,12H2,(H,19,20).
What are the key properties of 2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid?
2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid has a molecular weight of 382.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenoxy]acetic acid is sourced from PubChem (CID 139618989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).