4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile

C19H12N4OS — CID 4275802

IUPAC4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile
SMILESN#Cc1ccccc1Nc1sc(C(=O)c2ccccc2)c(N)c1C#N
InChIInChI=1S/C19H12N4OS/c20-10-13-8-4-5-9-15(13)23-19-14(11-21)16(22)18(25-19)17(24)12-6-2-1-3-7-12/h1-9,23H,22H2
InChIKeyAXXNZFNIHHADCM-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.05
Rot. Bonds4

About 4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile

4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile (PubChem CID 4275802) has the molecular formula C19H12N4OS and a molecular weight of 344.40 g/mol. Its IUPAC name is 4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile
PubChem CID4275802
Molecular FormulaC19H12N4OS
Molecular Weight344.40 g/mol
Exact Mass344.07
IUPAC Name4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile
SMILESN#Cc1ccccc1Nc1sc(C(=O)c2ccccc2)c(N)c1C#N
InChIInChI=1S/C19H12N4OS/c20-10-13-8-4-5-9-15(13)23-19-14(11-21)16(22)18(25-19)17(24)12-6-2-1-3-7-12/h1-9,23H,22H2
InChIKeyAXXNZFNIHHADCM-UHFFFAOYSA-N
XLogP4.05
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_B(12)', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-5-benzoyl-4-cyanothiophene-2-carboxylate
CID 110194656
4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile
CID 54293871
2-anilino-4-[6-(5-anilino-2-benzoyl-4-cyanothiophen-3-yl)-2-pyridinyl]-5-benzoylthiophene-3-carbonitrile
CID 72696542
4-amino-5-(4-methoxybenzoyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 43831079
2-[[3-amino-4-cyano-5-(4-methylanilino)thiophene-2-carbonyl]amino]benzoic acid
CID 23832855
4-amino-2-anilino-5-(2-methylidenebutanoyl)thiophene-3-carbonitrile
CID 143283462
4-amino-5-benzoyl-2-butylsulfanylthiophene-3-carbonitrile
CID 54069770
[3-amino-4-(benzenesulfonyl)-5-(2-fluoroanilino)thiophen-2-yl]-phenylmethanone
CID 2138487
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201
3,6-diamino-2-benzoylthieno[2,3-b]pyridin-7-ium-5-carbonitrile
CID 6937260
3,6-diamino-2-benzoyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 1070240
2-anilino-5-(4-tert-butylbenzoyl)-4-methylthiophene-3-carbonitrile
CID 3319662

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile (CID 4275802) is 4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile is N#Cc1ccccc1Nc1sc(C(=O)c2ccccc2)c(N)c1C#N.
What is the InChIKey of 4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile?
The InChIKey is AXXNZFNIHHADCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4OS/c20-10-13-8-4-5-9-15(13)23-19-14(11-21)16(22)18(25-19)17(24)12-6-2-1-3-7-12/h1-9,23H,22H2.
What are the key properties of 4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile?
4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile has a molecular weight of 344.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-benzoyl-2-(2-cyanoanilino)thiophene-3-carbonitrile is sourced from PubChem (CID 4275802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).