(2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C17H20N2O5S2 — CID 9496437

IUPAC(2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(OC)c1
InChIInChI=1S/C17H20N2O5S2/c1-23-13-5-6-14(15(12-13)24-2)17(20)18-7-9-19(10-8-18)26(21,22)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyUEGZAFXJMHIWEX-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.91
Rot. Bonds5

About (2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 9496437) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID9496437
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name(2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(OC)c1
InChIInChI=1S/C17H20N2O5S2/c1-23-13-5-6-14(15(12-13)24-2)17(20)18-7-9-19(10-8-18)26(21,22)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyUEGZAFXJMHIWEX-UHFFFAOYSA-N
XLogP1.91
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 18118416
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
(2,5-dimethylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 8924469
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
(2,4-dimethoxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 9496766
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2713016
(2,4-dimethoxyphenyl)-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
CID 90632669
methyl N-(2,4-dimethoxyphenyl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbamate
CID 91615302
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 2051902
(3-ethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217500

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 9496437) is (2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is UEGZAFXJMHIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-23-13-5-6-14(15(12-13)24-2)17(20)18-7-9-19(10-8-18)26(21,22)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 396.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 9496437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).