1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide

C22H25N3OS — CID 70108707

IUPAC1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c(-c3cccs3)n(C)c3ccccc13)C2
InChIInChI=1S/C22H25N3OS/c1-24-15-9-10-16(24)13-14(12-15)23-22(26)20-17-6-3-4-7-18(17)25(2)21(20)19-8-5-11-27-19/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,23,26)
InChIKeyOLITYHPHIQRTMI-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.26
Rot. Bonds3

About 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide

1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide (PubChem CID 70108707) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide
PubChem CID70108707
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1c(-c3cccs3)n(C)c3ccccc13)C2
InChIInChI=1S/C22H25N3OS/c1-24-15-9-10-16(24)13-14(12-15)23-22(26)20-17-6-3-4-7-18(17)25(2)21(20)19-8-5-11-27-19/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,23,26)
InChIKeyOLITYHPHIQRTMI-UHFFFAOYSA-N
XLogP4.26
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylindole-3-carboxamide;hydrochloride
CID 70108700
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylindole-3-carboxamide;hydrochloride
CID 70108169
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylphenyl)indole-3-carboxamide;hydrochloride
CID 70107632
2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride
CID 70105789
1-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-naphthalen-2-ylindole-3-carboxamide
CID 70108694
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylindole-3-carboxamide
CID 70107495
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
CID 90644699
1-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide;hydrochloride
CID 70106637
N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide
CID 70107814
4-chloro-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-phenylindole-3-carboxamide
CID 70107982
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
1-cyclopentyl-3-[(1-methyl-2-thiophen-2-ylindol-3-yl)methyl]urea
CID 71843890

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide?
The IUPAC name of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide (CID 70108707) is 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide is CN1C2CCC1CC(NC(=O)c1c(-c3cccs3)n(C)c3ccccc13)C2.
What is the InChIKey of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide?
The InChIKey is OLITYHPHIQRTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-24-15-9-10-16(24)13-14(12-15)23-22(26)20-17-6-3-4-7-18(17)25(2)21(20)19-8-5-11-27-19/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,23,26).
What are the key properties of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide?
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-2-ylindole-3-carboxamide is sourced from PubChem (CID 70108707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).