2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile

C41H25N5O2S2 — CID 72696542

IUPAC2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)sc(C(=O)c2ccccc2)c1-c1cccc(-c2c(C(=O)c3ccccc3)sc(Nc3ccccc3)c2C#N)n1
InChIInChI=1S/C41H25N5O2S2/c42-24-30-34(38(36(47)26-14-5-1-6-15-26)49-40(30)44-28-18-9-3-10-19-28)32-22-13-23-33(46-32)35-31(25-43)41(45-29-20-11-4-12-21-29)50-39(35)37(48)27-16-7-2-8-17-27/h1-23,44-45H
InChIKeyWZNBTEGLEGWYKX-UHFFFAOYSA-N
MW683.82 g/mol
LogP10.23
Rot. Bonds10

About 2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile

2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile (PubChem CID 72696542) has the molecular formula C41H25N5O2S2 and a molecular weight of 683.82 g/mol. Its IUPAC name is 2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile
PubChem CID72696542
Molecular FormulaC41H25N5O2S2
Molecular Weight683.82 g/mol
Exact Mass683.14
IUPAC Name2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)sc(C(=O)c2ccccc2)c1-c1cccc(-c2c(C(=O)c3ccccc3)sc(Nc3ccccc3)c2C#N)n1
InChIInChI=1S/C41H25N5O2S2/c42-24-30-34(38(36(47)26-14-5-1-6-15-26)49-40(30)44-28-18-9-3-10-19-28)32-22-13-23-33(46-32)35-31(25-43)41(45-29-20-11-4-12-21-29)50-39(35)37(48)27-16-7-2-8-17-27/h1-23,44-45H
InChIKeyWZNBTEGLEGWYKX-UHFFFAOYSA-N
XLogP10.23
TPSA118.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.82
LogP ≤ 510.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-anilino-5-(4-tert-butylbenzoyl)-4-methylthiophene-3-carbonitrile
CID 3319662
2-anilino-4-benzoyl-5-methylsulfanylthiophene-3-carbonitrile
CID 14241481
4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile
CID 4275802
5-(4-benzoylanilino)-3-oxo-1,2-thiazole-4-carbonitrile
CID 16727907
4-amino-2-anilino-5-(2-methylidenebutanoyl)thiophene-3-carbonitrile
CID 143283462
methyl 4-anilino-5-benzoyl-3-cyano-N-(2,6-dimethylphenyl)thiophene-2-carboximidothioate
CID 177485361
5-anilino-3-phenacylsulfanyl-1,2-thiazole-4-carbonitrile
CID 134103620
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201
[3-amino-5-anilino-4-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(4-chlorophenyl)methanone
CID 155816907
3,6-diamino-2-benzoyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 1070240
5-amino-2-anilino-7-phenylthieno[3,2-b]pyridine-3,6-dicarbonitrile
CID 4113248
[5-anilino-3-methyl-4-(1,2,4-triazol-1-yl)thiophen-2-yl]-phenylmethanone
CID 10926489

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile?
The IUPAC name of 2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile (CID 72696542) is 2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile.
What is the SMILES notation for 2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile?
The canonical SMILES for 2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile is N#Cc1c(Nc2ccccc2)sc(C(=O)c2ccccc2)c1-c1cccc(-c2c(C(=O)c3ccccc3)sc(Nc3ccccc3)c2C#N)n1.
What is the InChIKey of 2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile?
The InChIKey is WZNBTEGLEGWYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5O2S2/c42-24-30-34(38(36(47)26-14-5-1-6-15-26)49-40(30)44-28-18-9-3-10-19-28)32-22-13-23-33(46-32)35-31(25-43)41(45-29-20-11-4-12-21-29)50-39(35)37(48)27-16-7-2-8-17-27/h1-23,44-45H.
What are the key properties of 2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile?
2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile has a molecular weight of 683.82 g/mol, XLogP of 10.23, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile is sourced from PubChem (CID 72696542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).