N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide

C21H26N2O2S — CID 19491228

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cccc(OCc2csc(C(=O)NC3CC4CCC(C3)N4C)c2)c1
InChIInChI=1S/C21H26N2O2S/c1-14-4-3-5-19(8-14)25-12-15-9-20(26-13-15)21(24)22-16-10-17-6-7-18(11-16)23(17)2/h3-5,8-9,13,16-18H,6-7,10-12H2,1-2H3,(H,22,24)
InChIKeyAREIEABTIUKWQH-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.99
Rot. Bonds5

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19491228) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19491228
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cccc(OCc2csc(C(=O)NC3CC4CCC(C3)N4C)c2)c1
InChIInChI=1S/C21H26N2O2S/c1-14-4-3-5-19(8-14)25-12-15-9-20(26-13-15)21(24)22-16-10-17-6-7-18(11-16)23(17)2/h3-5,8-9,13,16-18H,6-7,10-12H2,1-2H3,(H,22,24)
InChIKeyAREIEABTIUKWQH-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490992
4-[(3-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
CID 19493303
4-[(4-chloro-3-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
CID 19483426
4-[(4-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
CID 19469556
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498856
4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 19505245
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
N-butyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491241
4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19505128
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491160
N-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19491228) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide is Cc1cccc(OCc2csc(C(=O)NC3CC4CCC(C3)N4C)c2)c1.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is AREIEABTIUKWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-14-4-3-5-19(8-14)25-12-15-9-20(26-13-15)21(24)22-16-10-17-6-7-18(11-16)23(17)2/h3-5,8-9,13,16-18H,6-7,10-12H2,1-2H3,(H,22,24).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19491228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).