N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide

C16H16FNOS — CID 30372793

IUPACN-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1cc2c(F)cccc2s1
InChIInChI=1S/C16H16FNOS/c17-12-2-1-3-13-11(12)8-14(20-13)16(19)18-15(9-4-5-9)10-6-7-10/h1-3,8-10,15H,4-7H2,(H,18,19)
InChIKeyYBIFGPYNEAUDHY-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.96
Rot. Bonds4

About N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide

N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 30372793) has the molecular formula C16H16FNOS and a molecular weight of 289.37 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID30372793
Molecular FormulaC16H16FNOS
Molecular Weight289.37 g/mol
Exact Mass289.09
IUPAC NameN-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1cc2c(F)cccc2s1
InChIInChI=1S/C16H16FNOS/c17-12-2-1-3-13-11(12)8-14(20-13)16(19)18-15(9-4-5-9)10-6-7-10/h1-3,8-10,15H,4-7H2,(H,18,19)
InChIKeyYBIFGPYNEAUDHY-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 51681533
4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 30481509
4-fluoro-N-(3-methylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 114549931
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 9118932
4-fluoro-1-benzothiophene-2-carbonyl chloride
CID 119087029
N-[3-(cyclopropylsulfamoyl)phenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 33310920
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 103850889
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55963207
N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43057862
4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832289
4-fluoro-N-(2-hydroxy-3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 115744570

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide (CID 30372793) is N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide is O=C(NC(C1CC1)C1CC1)c1cc2c(F)cccc2s1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is YBIFGPYNEAUDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c17-12-2-1-3-13-11(12)8-14(20-13)16(19)18-15(9-4-5-9)10-6-7-10/h1-3,8-10,15H,4-7H2,(H,18,19).
What are the key properties of N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide?
N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 289.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 30372793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).