[2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone

C24H17ClFNOS — CID 122188047

IUPAC[2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone
SMILESNc1sc(-c2ccccc2)c(Cc2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H17ClFNOS/c25-18-10-8-16(9-11-18)22(28)21-20(14-15-6-12-19(26)13-7-15)23(29-24(21)27)17-4-2-1-3-5-17/h1-13H,14,27H2
InChIKeyYJNGEXRAFDPLQS-UHFFFAOYSA-N
MW421.92 g/mol
LogP6.61
Rot. Bonds5

About [2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone

[2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone (PubChem CID 122188047) has the molecular formula C24H17ClFNOS and a molecular weight of 421.92 g/mol. Its IUPAC name is [2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone
PubChem CID122188047
Molecular FormulaC24H17ClFNOS
Molecular Weight421.92 g/mol
Exact Mass421.07
IUPAC Name[2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone
SMILESNc1sc(-c2ccccc2)c(Cc2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H17ClFNOS/c25-18-10-8-16(9-11-18)22(28)21-20(14-15-6-12-19(26)13-7-15)23(29-24(21)27)17-4-2-1-3-5-17/h1-13H,14,27H2
InChIKeyYJNGEXRAFDPLQS-UHFFFAOYSA-N
XLogP6.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.92
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze [2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone 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 [2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone (CID 122188047) is [2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone is Nc1sc(-c2ccccc2)c(Cc2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is YJNGEXRAFDPLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFNOS/c25-18-10-8-16(9-11-18)22(28)21-20(14-15-6-12-19(26)13-7-15)23(29-24(21)27)17-4-2-1-3-5-17/h1-13H,14,27H2.
What are the key properties of [2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone?
[2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 421.92 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[(4-fluorophenyl)methyl]-5-phenylthiophen-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 122188047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).