N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide

C18H19ClN2O2S2 — CID 10178786

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(S(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C18H19ClN2O2S2/c19-13-2-1-3-14(10-13)25(23)17-5-4-16(24-17)18(22)20-15-11-21-8-6-12(15)7-9-21/h1-5,10,12,15H,6-9,11H2,(H,20,22)
InChIKeySINNAAZRYOYXJC-UHFFFAOYSA-N
MW394.95 g/mol
LogP3.39
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide (PubChem CID 10178786) has the molecular formula C18H19ClN2O2S2 and a molecular weight of 394.95 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide
PubChem CID10178786
Molecular FormulaC18H19ClN2O2S2
Molecular Weight394.95 g/mol
Exact Mass394.06
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1CC2)c1ccc(S(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C18H19ClN2O2S2/c19-13-2-1-3-14(10-13)25(23)17-5-4-16(24-17)18(22)20-15-11-21-8-6-12(15)7-9-21/h1-5,10,12,15H,6-9,11H2,(H,20,22)
InChIKeySINNAAZRYOYXJC-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide 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

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(3,5-dichlorophenyl)benzamide
CID 23599460
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)thiophene-2-carboxamide
CID 18182118
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfanyl-1,3-thiazole-2-carboxamide
CID 18180780
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-chlorophenyl)urea
CID 20787787
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 10291113
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chloro-5-methylthiophene-2-carboxamide
CID 18181690
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[(6-chloro-2-pyridinyl)oxy]thiophene-2-carboxamide
CID 18181776
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-hydroxyphenoxy)thiophene-2-carboxamide
CID 18180782
5-(3-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180969
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-chlorophenyl)sulfonylbenzamide
CID 11976725

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide (CID 10178786) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide is O=C(NC1CN2CCC1CC2)c1ccc(S(=O)c2cccc(Cl)c2)s1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide?
The InChIKey is SINNAAZRYOYXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S2/c19-13-2-1-3-14(10-13)25(23)17-5-4-16(24-17)18(22)20-15-11-21-8-6-12(15)7-9-21/h1-5,10,12,15H,6-9,11H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide has a molecular weight of 394.95 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-chlorophenyl)sulfinylthiophene-2-carboxamide is sourced from PubChem (CID 10178786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).