3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide

C20H14FNO3S2 — CID 54729247

IUPAC3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide
SMILESCc1ccc(C(=CNC(=O)c2sc3c(F)csc3c2O)c2ccco2)cc1
InChIInChI=1S/C20H14FNO3S2/c1-11-4-6-12(7-5-11)13(15-3-2-8-25-15)9-22-20(24)19-16(23)18-17(27-19)14(21)10-26-18/h2-10,23H,1H3,(H,22,24)
InChIKeyXOKLTNZBWNTJAR-UHFFFAOYSA-N
MW399.47 g/mol
LogP5.53
Rot. Bonds4

About 3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide

3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide (PubChem CID 54729247) has the molecular formula C20H14FNO3S2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide
PubChem CID54729247
Molecular FormulaC20H14FNO3S2
Molecular Weight399.47 g/mol
Exact Mass399.04
IUPAC Name3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide
SMILESCc1ccc(C(=CNC(=O)c2sc3c(F)csc3c2O)c2ccco2)cc1
InChIInChI=1S/C20H14FNO3S2/c1-11-4-6-12(7-5-11)13(15-3-2-8-25-15)9-22-20(24)19-16(23)18-17(27-19)14(21)10-26-18/h2-10,23H,1H3,(H,22,24)
InChIKeyXOKLTNZBWNTJAR-UHFFFAOYSA-N
XLogP5.53
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Analyze 3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide with MolForge

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Related Compounds

N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide
CID 54736787
(2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid
CID 87598995
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide
CID 38275560
N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 1206485
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide
CID 126007751
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
N-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 154810998
methyl 2-(furan-2-carbonylamino)-4-methyl-5-[(4-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 1131163
ethyl 2-(furan-2-carbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
CID 1181756

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide (CID 54729247) is 3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide is Cc1ccc(C(=CNC(=O)c2sc3c(F)csc3c2O)c2ccco2)cc1.
What is the InChIKey of 3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is XOKLTNZBWNTJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3S2/c1-11-4-6-12(7-5-11)13(15-3-2-8-25-15)9-22-20(24)19-16(23)18-17(27-19)14(21)10-26-18/h2-10,23H,1H3,(H,22,24).
What are the key properties of 3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide?
3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 5.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 54729247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).