N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide

C23H18FNOS — CID 110500611

IUPACN-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(Cc2c(C(=O)Nc3ccc(F)cc3)sc3ccccc23)cc1
InChIInChI=1S/C23H18FNOS/c1-15-6-8-16(9-7-15)14-20-19-4-2-3-5-21(19)27-22(20)23(26)25-18-12-10-17(24)11-13-18/h2-13H,14H2,1H3,(H,25,26)
InChIKeyNEIUCZRWYJLFMF-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.19
Rot. Bonds4

About N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide

N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 110500611) has the molecular formula C23H18FNOS and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID110500611
Molecular FormulaC23H18FNOS
Molecular Weight375.47 g/mol
Exact Mass375.11
IUPAC NameN-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(Cc2c(C(=O)Nc3ccc(F)cc3)sc3ccccc23)cc1
InChIInChI=1S/C23H18FNOS/c1-15-6-8-16(9-7-15)14-20-19-4-2-3-5-21(19)27-22(20)23(26)25-18-12-10-17(24)11-13-18/h2-13H,14H2,1H3,(H,25,26)
InChIKeyNEIUCZRWYJLFMF-UHFFFAOYSA-N
XLogP6.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500728
N-(2,6-difluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500743
N-(9,10-dioxoanthracen-2-yl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500725
N-(4-bromo-3-methylphenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500748
3-[[3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carbonyl]amino]benzoic acid
CID 110500632
N-(2,5-dimethylphenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500598
N-(2-bromo-4-methylphenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500750
3-[(4-methylphenyl)methyl]-N-propyl-1-benzothiophene-2-carboxamide
CID 110496960
N-(1-hydroxybutan-2-yl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110497011
N-(5-chloro-2-methylphenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500604
N-(2-chloro-3-pyridinyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500746
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 110500680

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 110500611) is N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide is Cc1ccc(Cc2c(C(=O)Nc3ccc(F)cc3)sc3ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NEIUCZRWYJLFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNOS/c1-15-6-8-16(9-7-15)14-20-19-4-2-3-5-21(19)27-22(20)23(26)25-18-12-10-17(24)11-13-18/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 110500611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).