N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H16FNOS — CID 87027841

IUPACN-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(C(=O)c1csc2c1CCCC2)c1ccc(F)cc1
InChIInChI=1S/C16H16FNOS/c1-18(12-8-6-11(17)7-9-12)16(19)14-10-20-15-5-3-2-4-13(14)15/h6-10H,2-5H2,1H3
InChIKeyDZBAJLYEILZKPF-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.04
Rot. Bonds2

About N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 87027841) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID87027841
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(C(=O)c1csc2c1CCCC2)c1ccc(F)cc1
InChIInChI=1S/C16H16FNOS/c1-18(12-8-6-11(17)7-9-12)16(19)14-10-20-15-5-3-2-4-13(14)15/h6-10H,2-5H2,1H3
InChIKeyDZBAJLYEILZKPF-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 87027841) is N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CN(C(=O)c1csc2c1CCCC2)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is DZBAJLYEILZKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-18(12-8-6-11(17)7-9-12)16(19)14-10-20-15-5-3-2-4-13(14)15/h6-10H,2-5H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 87027841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).