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

C19H24N2O5S — CID 18151729

IUPACmethyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H24N2O5S/c1-14-4-5-18(15(2)12-14)27(23,24)21-9-7-20(8-10-21)13-17-16(6-11-26-17)19(22)25-3/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyRPLLQCKLWZFIBB-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.19
Rot. Bonds5

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

methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate (PubChem CID 18151729) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
PubChem CID18151729
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Namemethyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H24N2O5S/c1-14-4-5-18(15(2)12-14)27(23,24)21-9-7-20(8-10-21)13-17-16(6-11-26-17)19(22)25-3/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyRPLLQCKLWZFIBB-UHFFFAOYSA-N
XLogP2.19
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 18151747
methyl 2-[[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 55516949
methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
CID 34684534
methyl 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-3-carboxylate
CID 31688122
methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate
CID 43162349
ethyl 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 29165447
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
ethyl 2-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate
CID 29439858
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 27231569
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 28705351

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate (CID 18151729) is methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate?
The InChIKey is RPLLQCKLWZFIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14-4-5-18(15(2)12-14)27(23,24)21-9-7-20(8-10-21)13-17-16(6-11-26-17)19(22)25-3/h4-6,11-12H,7-10,13H2,1-3H3.
What are the key properties of methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate?
methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 392.48 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 18151729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).