4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

C19H21ClN2O2S — CID 18383864

IUPAC4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC1C(NC(=O)c2ccc(Oc3ccc(Cl)s3)cc2)C2CCN1CC2
InChIInChI=1S/C19H21ClN2O2S/c1-12-18(13-8-10-22(12)11-9-13)21-19(23)14-2-4-15(5-3-14)24-17-7-6-16(20)25-17/h2-7,12-13,18H,8-11H2,1H3,(H,21,23)
InChIKeyYFWFQXIIDBCJQH-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.41
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide

4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (PubChem CID 18383864) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
PubChem CID18383864
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
SMILESCC1C(NC(=O)c2ccc(Oc3ccc(Cl)s3)cc2)C2CCN1CC2
InChIInChI=1S/C19H21ClN2O2S/c1-12-18(13-8-10-22(12)11-9-13)21-19(23)14-2-4-15(5-3-14)24-17-7-6-16(20)25-17/h2-7,12-13,18H,8-11H2,1H3,(H,21,23)
InChIKeyYFWFQXIIDBCJQH-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383576
4-[(2-cyano-1,3-thiazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383246
5-(4-hydroxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181190
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]benzamide
CID 22897005
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide
CID 18399841
4-[(4-acetyl-1,3-thiazol-2-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383486
4-(5-acetamidofuran-2-yl)oxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897048
5-methoxy-N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-(11C)carboxamide
CID 10062163
5-(3-methoxyphenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181229
N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-[(4-morpholin-4-yl-1,3-oxazol-2-yl)oxy]benzamide
CID 22897040
4-[(2-acetamido-1,3-oxazol-5-yl)oxy]-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide
CID 18383823
5-(3-acetamidophenoxy)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18181276

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide (CID 18383864) is 4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is CC1C(NC(=O)c2ccc(Oc3ccc(Cl)s3)cc2)C2CCN1CC2.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
The InChIKey is YFWFQXIIDBCJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-12-18(13-8-10-22(12)11-9-13)21-19(23)14-2-4-15(5-3-14)24-17-7-6-16(20)25-17/h2-7,12-13,18H,8-11H2,1H3,(H,21,23).
What are the key properties of 4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide?
4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide has a molecular weight of 376.91 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)oxy-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)benzamide is sourced from PubChem (CID 18383864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).