1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone

C18H21ClN2O5S2 — CID 27768699

IUPAC1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(OC)c1
InChIInChI=1S/C18H21ClN2O5S2/c1-25-14-4-3-13(15(12-14)26-2)11-17(22)20-7-9-21(10-8-20)28(23,24)18-6-5-16(19)27-18/h3-6,12H,7-11H2,1-2H3
InChIKeyIORTVJIWWNWJLJ-UHFFFAOYSA-N
MW444.96 g/mol
LogP2.49
Rot. Bonds6

About 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone

1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone (PubChem CID 27768699) has the molecular formula C18H21ClN2O5S2 and a molecular weight of 444.96 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
PubChem CID27768699
Molecular FormulaC18H21ClN2O5S2
Molecular Weight444.96 g/mol
Exact Mass444.06
IUPAC Name1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(OC)c1
InChIInChI=1S/C18H21ClN2O5S2/c1-25-14-4-3-13(15(12-14)26-2)11-17(22)20-7-9-21(10-8-20)28(23,24)18-6-5-16(19)27-18/h3-6,12H,7-11H2,1-2H3
InChIKeyIORTVJIWWNWJLJ-UHFFFAOYSA-N
XLogP2.49
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684867
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-methoxyphenyl)sulfanylethanone
CID 35041590
2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 18273497
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 27768598
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
4-amino-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one
CID 120587011
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397
ethyl 4-[2-(2,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809095
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]hexan-1-one
CID 78773434
2-(2,4-dimethoxyphenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 39959114
2-(2,4-dimethoxyphenyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 39948329
4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534697

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone (CID 27768699) is 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(OC)c1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone?
The InChIKey is IORTVJIWWNWJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S2/c1-25-14-4-3-13(15(12-14)26-2)11-17(22)20-7-9-21(10-8-20)28(23,24)18-6-5-16(19)27-18/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone?
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone has a molecular weight of 444.96 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 27768699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).