(5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one

C23H20O2S2 — CID 101460675

IUPAC(5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one
SMILESCc1cc(C2=C(c3cc(C)sc3C)/C(=C/c3ccccc3)OC2=O)c(C)s1
InChIInChI=1S/C23H20O2S2/c1-13-10-18(15(3)26-13)21-20(12-17-8-6-5-7-9-17)25-23(24)22(21)19-11-14(2)27-16(19)4/h5-12H,1-4H3/b20-12-
InChIKeyFDDKNBKEBCUJJS-NDENLUEZSA-N
MW392.55 g/mol
LogP6.55
Rot. Bonds3

About (5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one

(5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one (PubChem CID 101460675) has the molecular formula C23H20O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one
PubChem CID101460675
Molecular FormulaC23H20O2S2
Molecular Weight392.55 g/mol
Exact Mass392.09
IUPAC Name(5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one
SMILESCc1cc(C2=C(c3cc(C)sc3C)/C(=C/c3ccccc3)OC2=O)c(C)s1
InChIInChI=1S/C23H20O2S2/c1-13-10-18(15(3)26-13)21-20(12-17-8-6-5-7-9-17)25-23(24)22(21)19-11-14(2)27-16(19)4/h5-12H,1-4H3/b20-12-
InChIKeyFDDKNBKEBCUJJS-NDENLUEZSA-N
XLogP6.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one?
The IUPAC name of (5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one (CID 101460675) is (5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one.
What is the SMILES notation for (5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one?
The canonical SMILES for (5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one is Cc1cc(C2=C(c3cc(C)sc3C)/C(=C/c3ccccc3)OC2=O)c(C)s1.
What is the InChIKey of (5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one?
The InChIKey is FDDKNBKEBCUJJS-NDENLUEZSA-N. The full InChI is InChI=1S/C23H20O2S2/c1-13-10-18(15(3)26-13)21-20(12-17-8-6-5-7-9-17)25-23(24)22(21)19-11-14(2)27-16(19)4/h5-12H,1-4H3/b20-12-.
What are the key properties of (5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one?
(5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one has a molecular weight of 392.55 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one is sourced from PubChem (CID 101460675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).