ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate

C20H26N2O7S — CID 29165447

IUPACethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C20H26N2O7S/c1-4-28-20(23)16-7-12-29-19(16)14-21-8-10-22(11-9-21)30(24,25)15-5-6-17(26-2)18(13-15)27-3/h5-7,12-13H,4,8-11,14H2,1-3H3
InChIKeyKIUNFVWXGQREEV-UHFFFAOYSA-N
MW438.50 g/mol
LogP1.98
Rot. Bonds8

About ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate

ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate (PubChem CID 29165447) has the molecular formula C20H26N2O7S and a molecular weight of 438.50 g/mol. Its IUPAC name is ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
PubChem CID29165447
Molecular FormulaC20H26N2O7S
Molecular Weight438.50 g/mol
Exact Mass438.15
IUPAC Nameethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C20H26N2O7S/c1-4-28-20(23)16-7-12-29-19(16)14-21-8-10-22(11-9-21)30(24,25)15-5-6-17(26-2)18(13-15)27-3/h5-7,12-13H,4,8-11,14H2,1-3H3
InChIKeyKIUNFVWXGQREEV-UHFFFAOYSA-N
XLogP1.98
TPSA98.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate
CID 29439858
1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 9300907
methyl 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-3-carboxylate
CID 31688122
methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 18151729
1-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17338184
ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 51072756
1-[(2-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 9435627
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoacetate
CID 2051856
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 9435637
1-(cyclohexylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 17468522
1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-ethoxypropan-1-one
CID 55686589

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate (CID 29165447) is ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate?
The InChIKey is KIUNFVWXGQREEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O7S/c1-4-28-20(23)16-7-12-29-19(16)14-21-8-10-22(11-9-21)30(24,25)15-5-6-17(26-2)18(13-15)27-3/h5-7,12-13H,4,8-11,14H2,1-3H3.
What are the key properties of ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate?
ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 438.50 g/mol, XLogP of 1.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 29165447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).