methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

C17H20N2O5S2 — CID 3722886

IUPACmethyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H20N2O5S2/c1-23-14-6-4-3-5-13(14)18-8-10-19(11-9-18)26(21,22)15-7-12-25-16(15)17(20)24-2/h3-7,12H,8-11H2,1-2H3
InChIKeyACLLVHHOEMJASR-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.05
Rot. Bonds5

About methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate (PubChem CID 3722886) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
PubChem CID3722886
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Namemethyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H20N2O5S2/c1-23-14-6-4-3-5-13(14)18-8-10-19(11-9-18)26(21,22)15-7-12-25-16(15)17(20)24-2/h3-7,12H,8-11H2,1-2H3
InChIKeyACLLVHHOEMJASR-UHFFFAOYSA-N
XLogP2.05
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Gsk0660
CID 46233311
Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 2093114
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 1520541
1-(2,5-Dimethylthiophen-3-yl)-3-(4-(2-methoxyphenyl)piperazin-1-yl)propan-1-one
CID 9822025
3-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10021391
5-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10091635
3-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10407915
5-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10473644
3-(4-(2-Methoxyphenyl)piperazin-1-yl)-1-(thiophen-3-yl)propan-1-one
CID 10616442

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate (CID 3722886) is methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate?
The InChIKey is ACLLVHHOEMJASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-23-14-6-4-3-5-13(14)18-8-10-19(11-9-18)26(21,22)15-7-12-25-16(15)17(20)24-2/h3-7,12H,8-11H2,1-2H3.
What are the key properties of methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate?
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate is sourced from PubChem (CID 3722886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).