methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate

C19H24N2O5S — CID 34684534

IUPACmethyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C19H24N2O5S/c1-14-4-5-15(2)17(12-14)27(23,24)21-9-7-20(8-10-21)13-16-6-11-26-18(16)19(22)25-3/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyHSNVVAXDQBZOHF-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.19
Rot. Bonds5

About methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate

methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate (PubChem CID 34684534) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
PubChem CID34684534
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Namemethyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
InChIInChI=1S/C19H24N2O5S/c1-14-4-5-15(2)17(12-14)27(23,24)21-9-7-20(8-10-21)13-16-6-11-26-18(16)19(22)25-3/h4-6,11-12H,7-10,13H2,1-3H3
InChIKeyHSNVVAXDQBZOHF-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

1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9037096
methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 18151729
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 36849344
tert-butyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]piperazine-1-carboxylate
CID 78857882
methyl 4-chloro-3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylbenzoate
CID 30872303
4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxychromen-2-one
CID 2690477
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2655698
N'-[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]furan-2-carbohydrazide
CID 8694149
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2088389
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2655732
4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-nitrobenzamide
CID 34684487

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate (CID 34684534) is methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1occc1CN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1.
What is the InChIKey of methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is HSNVVAXDQBZOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14-4-5-15(2)17(12-14)27(23,24)21-9-7-20(8-10-21)13-16-6-11-26-18(16)19(22)25-3/h4-6,11-12H,7-10,13H2,1-3H3.
What are the key properties of methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate?
methyl 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-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 3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 34684534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).