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

C20H15NO3S2 — CID 54736787

IUPACN-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide
SMILESCc1ccc(C(=CNC(=O)c2sc3ccsc3c2O)c2ccco2)cc1
InChIInChI=1S/C20H15NO3S2/c1-12-4-6-13(7-5-12)14(15-3-2-9-24-15)11-21-20(23)19-17(22)18-16(26-19)8-10-25-18/h2-11,22H,1H3,(H,21,23)
InChIKeyVUYGZYAWWCNDEY-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.39
Rot. Bonds4

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

N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide (PubChem CID 54736787) has the molecular formula C20H15NO3S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide
PubChem CID54736787
Molecular FormulaC20H15NO3S2
Molecular Weight381.48 g/mol
Exact Mass381.05
IUPAC NameN-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide
SMILESCc1ccc(C(=CNC(=O)c2sc3ccsc3c2O)c2ccco2)cc1
InChIInChI=1S/C20H15NO3S2/c1-12-4-6-13(7-5-12)14(15-3-2-9-24-15)11-21-20(23)19-17(22)18-16(26-19)8-10-25-18/h2-11,22H,1H3,(H,21,23)
InChIKeyVUYGZYAWWCNDEY-UHFFFAOYSA-N
XLogP5.39
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide
CID 54729247
(2E,4Z)-5-(furan-2-yl)-5-(4-methylphenyl)penta-2,4-dienoic acid
CID 87598995
N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide
CID 38275560
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide
CID 126007751
furan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102830703
N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 51858051
4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907475
N-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 154810998
[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide (CID 54736787) is N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide is Cc1ccc(C(=CNC(=O)c2sc3ccsc3c2O)c2ccco2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is VUYGZYAWWCNDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S2/c1-12-4-6-13(7-5-12)14(15-3-2-9-24-15)11-21-20(23)19-17(22)18-16(26-19)8-10-25-18/h2-11,22H,1H3,(H,21,23).
What are the key properties of N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide?
N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-(4-methylphenyl)ethenyl]-6-hydroxythieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 54736787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).