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

C19H14N2O2S — CID 1489036

IUPAC4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile
SMILESCc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1
InChIInChI=1S/C19H14N2O2S/c1-12-6-5-9-14(10-12)23-19-15(11-20)16(21)18(24-19)17(22)13-7-3-2-4-8-13/h2-10H,21H2,1H3
InChIKeyLFAMYXOBWYPWMK-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.53
Rot. Bonds4

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

4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile (PubChem CID 1489036) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile
PubChem CID1489036
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile
SMILESCc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1
InChIInChI=1S/C19H14N2O2S/c1-12-6-5-9-14(10-12)23-19-15(11-20)16(21)18(24-19)17(22)13-7-3-2-4-8-13/h2-10H,21H2,1H3
InChIKeyLFAMYXOBWYPWMK-UHFFFAOYSA-N
XLogP4.53
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile (CID 1489036) is 4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile is Cc1cccc(Oc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1.
What is the InChIKey of 4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile?
The InChIKey is LFAMYXOBWYPWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-12-6-5-9-14(10-12)23-19-15(11-20)16(21)18(24-19)17(22)13-7-3-2-4-8-13/h2-10H,21H2,1H3.
What are the key properties of 4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile?
4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile has a molecular weight of 334.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-benzoyl-2-(3-methylphenoxy)thiophene-3-carbonitrile is sourced from PubChem (CID 1489036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).