2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile

C18H14N2S — CID 13398047

IUPAC2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile
SMILESCc1ccc(-c2csc(Nc3ccccc3)c2C#N)cc1
InChIInChI=1S/C18H14N2S/c1-13-7-9-14(10-8-13)17-12-21-18(16(17)11-19)20-15-5-3-2-4-6-15/h2-10,12,20H,1H3
InChIKeyPKDJLKOLHOPSFO-UHFFFAOYSA-N
MW290.39 g/mol
LogP5.34
Rot. Bonds3

About 2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile

2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile (PubChem CID 13398047) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile
PubChem CID13398047
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile
SMILESCc1ccc(-c2csc(Nc3ccccc3)c2C#N)cc1
InChIInChI=1S/C18H14N2S/c1-13-7-9-14(10-8-13)17-12-21-18(16(17)11-19)20-15-5-3-2-4-6-15/h2-10,12,20H,1H3
InChIKeyPKDJLKOLHOPSFO-UHFFFAOYSA-N
XLogP5.34
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-4-(2-fluorophenyl)thiophene-3-carbonitrile
CID 126539466
2-(2-nitroanilino)-4-phenylthiophene-3-carbonitrile
CID 126539633
N-[3-[1-[(3-cyano-4-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 18911501
N-(3-cyano-4-phenylthiophen-2-yl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19317591
N-[3-[2-[[3-cyano-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methylbenzamide
CID 18911598
2-(4-aminophenyl)sulfanyl-N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]-2-phenylacetamide
CID 23094859
N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-4-methylbenzamide
CID 18911600
N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18911037
2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide
CID 46731752
4-(4-methylphenyl)-2-[(R)-methylsulfinyl]thiophene-3-carbonitrile
CID 11859415
N-[3-[2-[[3-cyano-4-(4-methylphenyl)thiophen-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methylbenzamide
CID 18911466
N-[3-cyano-4-(4-methylphenyl)thiophen-2-yl]-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 18910839

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile (CID 13398047) is 2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile is Cc1ccc(-c2csc(Nc3ccccc3)c2C#N)cc1.
What is the InChIKey of 2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile?
The InChIKey is PKDJLKOLHOPSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S/c1-13-7-9-14(10-8-13)17-12-21-18(16(17)11-19)20-15-5-3-2-4-6-15/h2-10,12,20H,1H3.
What are the key properties of 2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile?
2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile has a molecular weight of 290.39 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 13398047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).