N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C15H14FNOS — CID 939900

IUPACN-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H14FNOS/c16-11-5-7-12(8-6-11)17-15(18)14-9-10-3-1-2-4-13(10)19-14/h5-9H,1-4H2,(H,17,18)
InChIKeyKSFBLUREIPXJQB-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.02
Rot. Bonds2

About N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 939900) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID939900
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H14FNOS/c16-11-5-7-12(8-6-11)17-15(18)14-9-10-3-1-2-4-13(10)19-14/h5-9H,1-4H2,(H,17,18)
InChIKeyKSFBLUREIPXJQB-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 939900) is N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is KSFBLUREIPXJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-11-5-7-12(8-6-11)17-15(18)14-9-10-3-1-2-4-13(10)19-14/h5-9H,1-4H2,(H,17,18).
What are the key properties of N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 939900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).