N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide

C15H15ClN2O2S2 — CID 70025990

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccc(Cl)o2)s1
InChIInChI=1S/C15H15ClN2O2S2/c16-12-4-5-13(20-12)22-14-6-3-11(21-14)15(19)18-10-7-8-1-2-9(10)17-8/h3-6,8-10,17H,1-2,7H2,(H,18,19)/t8-,9+,10-/m1/s1
InChIKeyPPFPECVROOQGHT-KXUCPTDWSA-N
MW354.88 g/mol
LogP3.77
Rot. Bonds4

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide (PubChem CID 70025990) has the molecular formula C15H15ClN2O2S2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide
PubChem CID70025990
Molecular FormulaC15H15ClN2O2S2
Molecular Weight354.88 g/mol
Exact Mass354.03
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccc(Cl)o2)s1
InChIInChI=1S/C15H15ClN2O2S2/c16-12-4-5-13(20-12)22-14-6-3-11(21-14)15(19)18-10-7-8-1-2-9(10)17-8/h3-6,8-10,17H,1-2,7H2,(H,18,19)/t8-,9+,10-/m1/s1
InChIKeyPPFPECVROOQGHT-KXUCPTDWSA-N
XLogP3.77
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide (CID 70025990) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccc(Cl)o2)s1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide?
The InChIKey is PPFPECVROOQGHT-KXUCPTDWSA-N. The full InChI is InChI=1S/C15H15ClN2O2S2/c16-12-4-5-13(20-12)22-14-6-3-11(21-14)15(19)18-10-7-8-1-2-9(10)17-8/h3-6,8-10,17H,1-2,7H2,(H,18,19)/t8-,9+,10-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide has a molecular weight of 354.88 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(5-chlorofuran-2-yl)sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 70025990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).