4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile

C19H16N2OS — CID 172859984

IUPAC4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile
SMILESCc1ccc(OCc2ccccc2)c(Nc2cscc2C#N)c1
InChIInChI=1S/C19H16N2OS/c1-14-7-8-19(22-11-15-5-3-2-4-6-15)17(9-14)21-18-13-23-12-16(18)10-20/h2-9,12-13,21H,11H2,1H3
InChIKeyZFJDUFGIOGVEKX-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.25
Rot. Bonds5

About 4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile

4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile (PubChem CID 172859984) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile
PubChem CID172859984
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile
SMILESCc1ccc(OCc2ccccc2)c(Nc2cscc2C#N)c1
InChIInChI=1S/C19H16N2OS/c1-14-7-8-19(22-11-15-5-3-2-4-6-15)17(9-14)21-18-13-23-12-16(18)10-20/h2-9,12-13,21H,11H2,1H3
InChIKeyZFJDUFGIOGVEKX-UHFFFAOYSA-N
XLogP5.25
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethylphenyl)-2-phenylmethoxybenzonitrile
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N-chloro-4-methyl-2-phenylmethoxyaniline
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4-phenylmethoxynaphthalene-1-carbonitrile
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4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile
CID 157403563
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile
CID 174993082
4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile
CID 143291825
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
N-[2-[(5-methyl-2-phenylmethoxyphenyl)carbamoylamino]ethyl]acetamide
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2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile?
The IUPAC name of 4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile (CID 172859984) is 4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile?
The canonical SMILES for 4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile is Cc1ccc(OCc2ccccc2)c(Nc2cscc2C#N)c1.
What is the InChIKey of 4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile?
The InChIKey is ZFJDUFGIOGVEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-14-7-8-19(22-11-15-5-3-2-4-6-15)17(9-14)21-18-13-23-12-16(18)10-20/h2-9,12-13,21H,11H2,1H3.
What are the key properties of 4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile?
4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile has a molecular weight of 320.42 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-phenylmethoxyanilino)thiophene-3-carbonitrile is sourced from PubChem (CID 172859984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).