N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide

C17H20N2OS3 — CID 18181393

IUPACN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(Sc3ccsc3)s2)C2CCN1CC2
InChIInChI=1S/C17H20N2OS3/c1-11-16(12-4-7-19(11)8-5-12)18-17(20)14-2-3-15(23-14)22-13-6-9-21-10-13/h2-3,6,9-12,16H,4-5,7-8H2,1H3,(H,18,20)
InChIKeyYXDZSGNKCDMZHC-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.17
Rot. Bonds4

About N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide (PubChem CID 18181393) has the molecular formula C17H20N2OS3 and a molecular weight of 364.56 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide
PubChem CID18181393
Molecular FormulaC17H20N2OS3
Molecular Weight364.56 g/mol
Exact Mass364.07
IUPAC NameN-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide
SMILESCC1C(NC(=O)c2ccc(Sc3ccsc3)s2)C2CCN1CC2
InChIInChI=1S/C17H20N2OS3/c1-11-16(12-4-7-19(11)8-5-12)18-17(20)14-2-3-15(23-14)22-13-6-9-21-10-13/h2-3,6,9-12,16H,4-5,7-8H2,1H3,(H,18,20)
InChIKeyYXDZSGNKCDMZHC-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-acetylphenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181730
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-thiazol-2-ylsulfanyl)thiophene-2-carboxamide
CID 18180759
4-(5-acetylthiophen-2-yl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18399843
5-[(5-chloro-1,3-thiazol-2-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181259
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide
CID 18180912
5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide
CID 10062163
5-(4-hydroxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181190
5-(4-chlorophenyl)sulfanyl-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-1,3-thiazole-2-carboxamide
CID 18182050
5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180934
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide
CID 18181175
5-[3-[(2,2-difluoroacetyl)amino]phenyl]sulfanyl-N-[(3R)-2-iodo-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 70008745
4-[(2-cyano-1,3-thiazol-5-yl)sulfanyl]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383248

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide (CID 18181393) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide is CC1C(NC(=O)c2ccc(Sc3ccsc3)s2)C2CCN1CC2.
What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide?
The InChIKey is YXDZSGNKCDMZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS3/c1-11-16(12-4-7-19(11)8-5-12)18-17(20)14-2-3-15(23-14)22-13-6-9-21-10-13/h2-3,6,9-12,16H,4-5,7-8H2,1H3,(H,18,20).
What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide?
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide has a molecular weight of 364.56 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-thiophen-3-ylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 18181393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).