5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide

C20H16N2O3S — CID 2740193

IUPAC5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2c(C#N)sc(C(N)=O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H16N2O3S/c1-24-14-7-3-12(4-8-14)17-16(11-21)26-19(20(22)23)18(17)13-5-9-15(25-2)10-6-13/h3-10H,1-2H3,(H2,22,23)
InChIKeyMAJCEUVTVOJDFD-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.07
Rot. Bonds5

About 5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide

5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 2740193) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID2740193
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2c(C#N)sc(C(N)=O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H16N2O3S/c1-24-14-7-3-12(4-8-14)17-16(11-21)26-19(20(22)23)18(17)13-5-9-15(25-2)10-6-13/h3-10H,1-2H3,(H2,22,23)
InChIKeyMAJCEUVTVOJDFD-UHFFFAOYSA-N
XLogP4.07
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934185
(E)-3-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenyl]-2-phenyl-acrylamide
CID 10570511
[2-Amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone
CID 25263746
5-(4-Cyanophenyl)-N-(3-methoxybenzyl)-N-methylthiophene-2-carboxamide
CID 56934322
N-[3-[benzyl(methyl)amino]propyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 177649639
3-[2-Cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enamide
CID 49824147
4-[4-(Trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 23063732
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N,N-dimethylthiophene-2-carboxamide
CID 23372721
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 23372838
5-(4-Fluorophenyl)-4-(4-methoxyphenyl)-3-methylthiophene-2-carboxamide
CID 57302374
3-[2-[4-(Cyanomethyl)-3-fluorophenyl]-3-methoxy-6-propan-2-ylphenyl]thiophene-2-carboxamide
CID 123338222
5-[1-[3-Methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]thiophene-2-carboxamide
CID 141148306

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide (CID 2740193) is 5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2c(C#N)sc(C(N)=O)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is MAJCEUVTVOJDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-24-14-7-3-12(4-8-14)17-16(11-21)26-19(20(22)23)18(17)13-5-9-15(25-2)10-6-13/h3-10H,1-2H3,(H2,22,23).
What are the key properties of 5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide?
5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3,4-bis(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2740193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).