(5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one

C24H22O3S2 — CID 101460676

IUPAC(5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
SMILESCOc1ccc(/C=C2\OC(=O)C(c3cc(C)sc3C)=C2c2cc(C)sc2C)cc1
InChIInChI=1S/C24H22O3S2/c1-13-10-19(15(3)28-13)22-21(12-17-6-8-18(26-5)9-7-17)27-24(25)23(22)20-11-14(2)29-16(20)4/h6-12H,1-5H3/b21-12-
InChIKeyBDQRURHVTDDOJU-MTJSOVHGSA-N
MW422.57 g/mol
LogP6.56
Rot. Bonds4

About (5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one

(5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one (PubChem CID 101460676) has the molecular formula C24H22O3S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is (5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
PubChem CID101460676
Molecular FormulaC24H22O3S2
Molecular Weight422.57 g/mol
Exact Mass422.10
IUPAC Name(5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
SMILESCOc1ccc(/C=C2\OC(=O)C(c3cc(C)sc3C)=C2c2cc(C)sc2C)cc1
InChIInChI=1S/C24H22O3S2/c1-13-10-19(15(3)28-13)22-21(12-17-6-8-18(26-5)9-7-17)27-24(25)23(22)20-11-14(2)29-16(20)4/h6-12H,1-5H3/b21-12-
InChIKeyBDQRURHVTDDOJU-MTJSOVHGSA-N
XLogP6.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one with MolForge

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Related Compounds

(5Z)-5-benzylidene-3,4-bis(2,5-dimethylthiophen-3-yl)furan-2-one
CID 101460675
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
6-(difluoromethoxy)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 171340855
4-[(4-methoxyphenyl)methylidene]isochromene-1,3-dione
CID 3102747
(5Z)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 11587605
3-hydroxy-1-[(4-methoxyphenyl)methylidene]-6-methyl-3,5-dihydrofuro[3,4-c]pyridin-4-one
CID 174426896
(2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 10308825
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
(2R)-2-[[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoic acid
CID 7003430
ethyl (2S)-2-[[2-[(4-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate
CID 7004584
(2E,4E)-1-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 127041913
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349

Frequently Asked Questions

What is the IUPAC name of (5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one?
The IUPAC name of (5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one (CID 101460676) is (5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for (5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one?
The canonical SMILES for (5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one is COc1ccc(/C=C2\OC(=O)C(c3cc(C)sc3C)=C2c2cc(C)sc2C)cc1.
What is the InChIKey of (5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one?
The InChIKey is BDQRURHVTDDOJU-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H22O3S2/c1-13-10-19(15(3)28-13)22-21(12-17-6-8-18(26-5)9-7-17)27-24(25)23(22)20-11-14(2)29-16(20)4/h6-12H,1-5H3/b21-12-.
What are the key properties of (5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one?
(5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one has a molecular weight of 422.57 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 101460676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).