5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide

C18H16FNOS — CID 9396355

IUPAC5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3cc(F)ccc3s2)cc1
InChIInChI=1S/C18H16FNOS/c1-12-3-5-13(6-4-12)11-20(2)18(21)17-10-14-9-15(19)7-8-16(14)22-17/h3-10H,11H2,1-2H3
InChIKeyCFEOXNANBAYCPC-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.62
Rot. Bonds3

About 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide

5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 9396355) has the molecular formula C18H16FNOS and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID9396355
Molecular FormulaC18H16FNOS
Molecular Weight313.40 g/mol
Exact Mass313.09
IUPAC Name5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3cc(F)ccc3s2)cc1
InChIInChI=1S/C18H16FNOS/c1-12-3-5-13(6-4-12)11-20(2)18(21)17-10-14-9-15(19)7-8-16(14)22-17/h3-10H,11H2,1-2H3
InChIKeyCFEOXNANBAYCPC-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 27259768
N-benzyl-N-methyl-5-[(4-methylphenyl)methyl-methylsulfonylamino]-1-benzothiophene-2-carboxamide
CID 17246656
5-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 63939467
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 78771151
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N-[(4-cyanophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 39859920
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112792541
N-cyclopropyl-N-[(4-methylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 32589886
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
N-(2-chloroethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 81104759

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 9396355) is 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide is Cc1ccc(CN(C)C(=O)c2cc3cc(F)ccc3s2)cc1.
What is the InChIKey of 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is CFEOXNANBAYCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNOS/c1-12-3-5-13(6-4-12)11-20(2)18(21)17-10-14-9-15(19)7-8-16(14)22-17/h3-10H,11H2,1-2H3.
What are the key properties of 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide?
5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9396355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).