N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide

C15H16N2O2S2 — CID 18535618

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ccc(Sc2ccoc2)s1
InChIInChI=1S/C15H16N2O2S2/c18-15(17-12-7-9-1-2-11(12)16-9)13-3-4-14(21-13)20-10-5-6-19-8-10/h3-6,8-9,11-12,16H,1-2,7H2,(H,17,18)
InChIKeyYCTYWMBFJBREHG-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.12
Rot. Bonds4

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide (PubChem CID 18535618) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide
PubChem CID18535618
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ccc(Sc2ccoc2)s1
InChIInChI=1S/C15H16N2O2S2/c18-15(17-12-7-9-1-2-11(12)16-9)13-3-4-14(21-13)20-10-5-6-19-8-10/h3-6,8-9,11-12,16H,1-2,7H2,(H,17,18)
InChIKeyYCTYWMBFJBREHG-UHFFFAOYSA-N
XLogP3.12
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-phenylsulfanylthiophene-2-carboxamide
CID 18535408
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-chlorophenyl)sulfanylthiophene-2-carboxamide;hydrochloride
CID 157248969
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-morpholin-4-ylphenyl)sulfanylthiophene-2-carboxamide
CID 20585480
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-cyanophenyl)sulfanylthiophene-2-carboxamide
CID 18535393
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2-hydroxyphenyl)sulfanylthiophene-2-carboxamide
CID 70025508
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide
CID 70025990
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(3-carbamoylphenyl)sulfanylthiophene-2-carboxamide
CID 18535072
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(1,3-oxazol-5-ylsulfanyl)thiophene-2-carboxamide
CID 70025930
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(trifluoromethyl)phenyl]sulfanylthiophene-2-carboxamide
CID 70025742
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide
CID 18181430
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[(2-methoxy-1,3-oxazol-5-yl)sulfanyl]thiophene-2-carboxamide
CID 70026070
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-[(2,2-difluoroacetyl)amino]phenyl]sulfanylthiophene-2-carboxamide
CID 18535213

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide (CID 18535618) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide is O=C(NC1CC2CCC1N2)c1ccc(Sc2ccoc2)s1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide?
The InChIKey is YCTYWMBFJBREHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c18-15(17-12-7-9-1-2-11(12)16-9)13-3-4-14(21-13)20-10-5-6-19-8-10/h3-6,8-9,11-12,16H,1-2,7H2,(H,17,18).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(furan-3-ylsulfanyl)thiophene-2-carboxamide is sourced from PubChem (CID 18535618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).