4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile

C16H11NOS2 — CID 137403570

IUPAC4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)csc1OCc1cccs1
InChIInChI=1S/C16H11NOS2/c17-9-14-15(12-5-2-1-3-6-12)11-20-16(14)18-10-13-7-4-8-19-13/h1-8,11H,10H2
InChIKeyFMOYXZYFIVFAFR-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.93
Rot. Bonds4

About 4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile

4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile (PubChem CID 137403570) has the molecular formula C16H11NOS2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile
PubChem CID137403570
Molecular FormulaC16H11NOS2
Molecular Weight297.40 g/mol
Exact Mass297.03
IUPAC Name4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)csc1OCc1cccs1
InChIInChI=1S/C16H11NOS2/c17-9-14-15(12-5-2-1-3-6-12)11-20-16(14)18-10-13-7-4-8-19-13/h1-8,11H,10H2
InChIKeyFMOYXZYFIVFAFR-UHFFFAOYSA-N
XLogP4.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-[5-(4-Methoxyphenyl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 89681657
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2-[(E)-3-methoxy-2-(2-methylphenyl)prop-1-enyl]-4-(thiophen-3-ylmethoxy)benzonitrile
CID 10714515
2-Ethoxy-4-(4-fluorophenyl)thiophene-3-carbonitrile
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2-Benzyloxy-thiophene
CID 23130464
2-Ethoxy-4-phenylthiophene
CID 15654344
2-((4-(4-Methoxyphenyl)-2-thienyl)methylene)malononitrile
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2-(4-Methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile
CID 324051
2-[[4-[(2-Cyanothiophen-3-yl)methoxy]phenyl]methylidene]propanedinitrile
CID 2740194
2-(2-Thiophen-2-ylchromen-4-ylidene)propanedinitrile
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(Z)-3-(4-methoxyphenyl)-3-thiophen-2-ylprop-2-enenitrile
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile?
The IUPAC name of 4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile (CID 137403570) is 4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile.
What is the SMILES notation for 4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile?
The canonical SMILES for 4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile is N#Cc1c(-c2ccccc2)csc1OCc1cccs1.
What is the InChIKey of 4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile?
The InChIKey is FMOYXZYFIVFAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS2/c17-9-14-15(12-5-2-1-3-6-12)11-20-16(14)18-10-13-7-4-8-19-13/h1-8,11H,10H2.
What are the key properties of 4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile?
4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile has a molecular weight of 297.40 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(thiophen-2-ylmethoxy)thiophene-3-carbonitrile is sourced from PubChem (CID 137403570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).