N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide

C19H22N2O2S — CID 119457762

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)sc1C(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C19H22N2O2S/c1-23-16-11-17(12-5-3-2-4-6-12)24-18(16)19(22)21-15-9-13-7-8-14(10-15)20-13/h2-6,11,13-15,20H,7-10H2,1H3,(H,21,22)
InChIKeyXHJUWZWMTPRROD-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.44
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide (PubChem CID 119457762) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
PubChem CID119457762
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)sc1C(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C19H22N2O2S/c1-23-16-11-17(12-5-3-2-4-6-12)24-18(16)19(22)21-15-9-13-7-8-14(10-15)20-13/h2-6,11,13-15,20H,7-10H2,1H3,(H,21,22)
InChIKeyXHJUWZWMTPRROD-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 119455398
3-methoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119452328
3-methoxy-5-phenyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119427157
3-ethoxy-5-phenyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386060
3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449775
N-(3-acetamidophenyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55834572
3-ethoxy-N-(2-methylpiperidin-4-yl)-5-phenylthiophene-2-carboxamide
CID 120600484
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119458090
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide;hydrochloride
CID 119457267
N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119474680
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 71848991

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide (CID 119457762) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide is COc1cc(-c2ccccc2)sc1C(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide?
The InChIKey is XHJUWZWMTPRROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-23-16-11-17(12-5-3-2-4-6-12)24-18(16)19(22)21-15-9-13-7-8-14(10-15)20-13/h2-6,11,13-15,20H,7-10H2,1H3,(H,21,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxy-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 119457762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).