4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide

C15H16FNOS — CID 114549931

IUPAC4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3c(F)cccc3s2)C1
InChIInChI=1S/C15H16FNOS/c1-9-5-6-10(7-9)17-15(18)14-8-11-12(16)3-2-4-13(11)19-14/h2-4,8-10H,5-7H2,1H3,(H,17,18)
InChIKeyCBNLBWNDIFSOTG-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.96
Rot. Bonds2

About 4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide

4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide (PubChem CID 114549931) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide
PubChem CID114549931
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc3c(F)cccc3s2)C1
InChIInChI=1S/C15H16FNOS/c1-9-5-6-10(7-9)17-15(18)14-8-11-12(16)3-2-4-13(11)19-14/h2-4,8-10H,5-7H2,1H3,(H,17,18)
InChIKeyCBNLBWNDIFSOTG-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide (CID 114549931) is 4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide is CC1CCC(NC(=O)c2cc3c(F)cccc3s2)C1.
What is the InChIKey of 4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide?
The InChIKey is CBNLBWNDIFSOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-9-5-6-10(7-9)17-15(18)14-8-11-12(16)3-2-4-13(11)19-14/h2-4,8-10H,5-7H2,1H3,(H,17,18).
What are the key properties of 4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114549931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).