N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide

C16H19NOS — CID 114550457

IUPACN-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
SMILESCC1(C)CCC(NC(=O)c2csc3ccccc23)C1
InChIInChI=1S/C16H19NOS/c1-16(2)8-7-11(9-16)17-15(18)13-10-19-14-6-4-3-5-12(13)14/h3-6,10-11H,7-9H2,1-2H3,(H,17,18)
InChIKeyRFTQPSHPCVJXBC-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.21
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide

N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide (PubChem CID 114550457) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
PubChem CID114550457
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide
SMILESCC1(C)CCC(NC(=O)c2csc3ccccc23)C1
InChIInChI=1S/C16H19NOS/c1-16(2)8-7-11(9-16)17-15(18)13-10-19-14-6-4-3-5-12(13)14/h3-6,10-11H,7-9H2,1-2H3,(H,17,18)
InChIKeyRFTQPSHPCVJXBC-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide
CID 115272862
cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320846
2-tert-butyl-N-(3,3-dimethylcyclopentyl)benzamide
CID 114550285
N-(3,3-dimethylcyclopentyl)-4-methylthiophene-3-carboxamide
CID 115881864
N-(3,3-dimethylcyclopentyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 114550378
N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119426966
N-(3,3-dimethylcyclopentyl)-5-iodothiophene-3-carboxamide
CID 115880826
N-(3,3-dimethylcyclopentyl)-2-methylsulfanylpyridine-3-carboxamide
CID 113345445
N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 115880619
N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide
CID 115880667

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide (CID 114550457) is N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide is CC1(C)CCC(NC(=O)c2csc3ccccc23)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide?
The InChIKey is RFTQPSHPCVJXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-16(2)8-7-11(9-16)17-15(18)13-10-19-14-6-4-3-5-12(13)14/h3-6,10-11H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide?
N-(3,3-dimethylcyclopentyl)-1-benzothiophene-3-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 4.21, 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)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 114550457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).