furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone

C22H22N2O7S — CID 3593668

IUPACfuran-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)o2)cc1
InChIInChI=1S/C22H22N2O7S/c1-29-16-4-7-18(8-5-16)32(27,28)15-17-6-9-20(31-17)22(26)24-12-10-23(11-13-24)21(25)19-3-2-14-30-19/h2-9,14H,10-13,15H2,1H3
InChIKeyXLWFESXDCMWFHZ-UHFFFAOYSA-N
MW458.49 g/mol
LogP2.45
Rot. Bonds6

About furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 3593668) has the molecular formula C22H22N2O7S and a molecular weight of 458.49 g/mol. Its IUPAC name is furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone
PubChem CID3593668
Molecular FormulaC22H22N2O7S
Molecular Weight458.49 g/mol
Exact Mass458.11
IUPAC Namefuran-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)o2)cc1
InChIInChI=1S/C22H22N2O7S/c1-29-16-4-7-18(8-5-16)32(27,28)15-17-6-9-20(31-17)22(26)24-12-10-23(11-13-24)21(25)19-3-2-14-30-19/h2-9,14H,10-13,15H2,1H3
InChIKeyXLWFESXDCMWFHZ-UHFFFAOYSA-N
XLogP2.45
TPSA110.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone (CID 3593668) is furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone is COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)o2)cc1.
What is the InChIKey of furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is XLWFESXDCMWFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O7S/c1-29-16-4-7-18(8-5-16)32(27,28)15-17-6-9-20(31-17)22(26)24-12-10-23(11-13-24)21(25)19-3-2-14-30-19/h2-9,14H,10-13,15H2,1H3.
What are the key properties of furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 458.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3593668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).