N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide

C16H18FNOS — CID 114550317

IUPACN-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cc3cc(F)ccc3s2)C1
InChIInChI=1S/C16H18FNOS/c1-16(2)6-5-12(9-16)18-15(19)14-8-10-7-11(17)3-4-13(10)20-14/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyVIOXCYKWEMWLTQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.35
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide

N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 114550317) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide
PubChem CID114550317
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC NameN-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCC1(C)CCC(NC(=O)c2cc3cc(F)ccc3s2)C1
InChIInChI=1S/C16H18FNOS/c1-16(2)6-5-12(9-16)18-15(19)14-8-10-7-11(17)3-4-13(10)20-14/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyVIOXCYKWEMWLTQ-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 115881776
N-(3,3-dimethylcyclopentyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 114550474
N-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 121413582
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 9488582
N-[2-(cyclohexylamino)ethyl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 19008852
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 10125921
1-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157858
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 112804142
5-fluoro-N-prop-2-ynyl-1-benzothiophene-2-carboxamide
CID 18110082
4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
CID 114540712
N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 115299187
N-(3,3-dimethylcyclopentyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114550695

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide (CID 114550317) is N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide is CC1(C)CCC(NC(=O)c2cc3cc(F)ccc3s2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is VIOXCYKWEMWLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-16(2)6-5-12(9-16)18-15(19)14-8-10-7-11(17)3-4-13(10)20-14/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,18,19).
What are the key properties of N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide?
N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-5-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114550317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).