ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate

C20H24N2O7S — CID 3241575

IUPACethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1
InChIInChI=1S/C20H24N2O7S/c1-3-28-20(24)22-12-10-21(11-13-22)19(23)17-9-8-15(29-17)14-30(25,26)18-7-5-4-6-16(18)27-2/h4-9H,3,10-14H2,1-2H3
InChIKeyMICWGVXWUMYOOO-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.18
Rot. Bonds6

About ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate (PubChem CID 3241575) has the molecular formula C20H24N2O7S and a molecular weight of 436.49 g/mol. Its IUPAC name is ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate
PubChem CID3241575
Molecular FormulaC20H24N2O7S
Molecular Weight436.49 g/mol
Exact Mass436.13
IUPAC Nameethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1
InChIInChI=1S/C20H24N2O7S/c1-3-28-20(24)22-12-10-21(11-13-22)19(23)17-9-8-15(29-17)14-30(25,26)18-7-5-4-6-16(18)27-2/h4-9H,3,10-14H2,1-2H3
InChIKeyMICWGVXWUMYOOO-UHFFFAOYSA-N
XLogP2.18
TPSA106.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate (CID 3241575) is ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1.
What is the InChIKey of ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is MICWGVXWUMYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S/c1-3-28-20(24)22-12-10-21(11-13-22)19(23)17-9-8-15(29-17)14-30(25,26)18-7-5-4-6-16(18)27-2/h4-9H,3,10-14H2,1-2H3.
What are the key properties of ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 436.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 3241575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).