N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide

C15H15ClN2OS2 — CID 22350872

IUPACN-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1ccc(-c2ccc(Cl)s2)s1
InChIInChI=1S/C15H15ClN2OS2/c16-14-4-3-12(21-14)11-1-2-13(20-11)15(19)17-10-8-18-6-5-9(10)7-18/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyZZOQPRBARYPCOX-UHFFFAOYSA-N
MW338.89 g/mol
LogP3.56
Rot. Bonds3

About N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide

N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide (PubChem CID 22350872) has the molecular formula C15H15ClN2OS2 and a molecular weight of 338.89 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide
PubChem CID22350872
Molecular FormulaC15H15ClN2OS2
Molecular Weight338.89 g/mol
Exact Mass338.03
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide
SMILESO=C(NC1CN2CCC1C2)c1ccc(-c2ccc(Cl)s2)s1
InChIInChI=1S/C15H15ClN2OS2/c16-14-4-3-12(21-14)11-1-2-13(20-11)15(19)17-10-8-18-6-5-9(10)7-18/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyZZOQPRBARYPCOX-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.89
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-phenylthiophene-2-(11C)carboxamide
CID 10041150
5-(aminomethyl)-N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]thiophene-2-carboxamide
CID 59113585
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chloro-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 18180343
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 10291113
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 23599499
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 10271460
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 20815167
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(1H-imidazol-5-yl)thiophene-2-carboxamide
CID 18181434
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 18181309
5-(3-acetylphenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180969
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-nitrophenyl)thiophene-2-carboxamide
CID 18180632
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenoxy)thiophene-2-carboxamide
CID 18182118

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide (CID 22350872) is N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide is O=C(NC1CN2CCC1C2)c1ccc(-c2ccc(Cl)s2)s1.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide?
The InChIKey is ZZOQPRBARYPCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS2/c16-14-4-3-12(21-14)11-1-2-13(20-11)15(19)17-10-8-18-6-5-9(10)7-18/h1-4,9-10H,5-8H2,(H,17,19).
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide?
N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide has a molecular weight of 338.89 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-(5-chlorothiophen-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 22350872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).