(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C17H20N2O4S2 — CID 17217500

IUPAC(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C17H20N2O4S2/c1-2-23-15-6-3-5-14(13-15)17(20)18-8-10-19(11-9-18)25(21,22)16-7-4-12-24-16/h3-7,12-13H,2,8-11H2,1H3
InChIKeyYCUASBHABWAPSE-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.29
Rot. Bonds5

About (3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 17217500) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID17217500
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCOc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C17H20N2O4S2/c1-2-23-15-6-3-5-14(13-15)17(20)18-8-10-19(11-9-18)25(21,22)16-7-4-12-24-16/h3-7,12-13H,2,8-11H2,1H3
InChIKeyYCUASBHABWAPSE-UHFFFAOYSA-N
XLogP2.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388
(3-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 52693720
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
(3-ethoxyphenyl)-piperazin-1-ylmethanone
CID 39255484
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
2-(3-fluorophenoxy)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 8924494
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495905
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methylphenyl)methanone
CID 26869057
(3-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
(3-methoxyphenyl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 17476588
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(thiophen-2-ylmethoxy)phenyl]methanone
CID 39945412

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 17217500) is (3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is CCOc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is YCUASBHABWAPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-2-23-15-6-3-5-14(13-15)17(20)18-8-10-19(11-9-18)25(21,22)16-7-4-12-24-16/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of (3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 380.49 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 17217500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).