N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide

C23H17FN2O2S — CID 18376821

IUPACN-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3s2)c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C23H17FN2O2S/c1-14-6-11-19(18(12-14)22(27)25-17-9-7-16(24)8-10-17)26-23(28)21-13-15-4-2-3-5-20(15)29-21/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyZHLDDMAQXYATAS-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.85
Rot. Bonds4

About N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide

N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide (PubChem CID 18376821) has the molecular formula C23H17FN2O2S and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
PubChem CID18376821
Molecular FormulaC23H17FN2O2S
Molecular Weight404.47 g/mol
Exact Mass404.10
IUPAC NameN-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3s2)c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C23H17FN2O2S/c1-14-6-11-19(18(12-14)22(27)25-17-9-7-16(24)8-10-17)26-23(28)21-13-15-4-2-3-5-20(15)29-21/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyZHLDDMAQXYATAS-UHFFFAOYSA-N
XLogP5.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide 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 N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide (CID 18376821) is N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3s2)c(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZHLDDMAQXYATAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2S/c1-14-6-11-19(18(12-14)22(27)25-17-9-7-16(24)8-10-17)26-23(28)21-13-15-4-2-3-5-20(15)29-21/h2-13H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide?
N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18376821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).