N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide

C18H21N3O4S — CID 70028158

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)o2)cc1
InChIInChI=1S/C18H21N3O4S/c1-19-26(23,24)13-5-2-11(3-6-13)16-8-9-17(25-16)18(22)21-15-10-12-4-7-14(15)20-12/h2-3,5-6,8-9,12,14-15,19-20H,4,7,10H2,1H3,(H,21,22)/t12-,14+,15-/m1/s1
InChIKeyGDSDKTSWNPBEKL-VHDGCEQUSA-N
MW375.45 g/mol
LogP1.48
Rot. Bonds5

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

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 70028158) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID70028158
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)o2)cc1
InChIInChI=1S/C18H21N3O4S/c1-19-26(23,24)13-5-2-11(3-6-13)16-8-9-17(25-16)18(22)21-15-10-12-4-7-14(15)20-12/h2-3,5-6,8-9,12,14-15,19-20H,4,7,10H2,1H3,(H,21,22)/t12-,14+,15-/m1/s1
InChIKeyGDSDKTSWNPBEKL-VHDGCEQUSA-N
XLogP1.48
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.48
H-Bond Donors ≤ 53
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-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide (CID 70028158) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide is CNS(=O)(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)o2)cc1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is GDSDKTSWNPBEKL-VHDGCEQUSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-19-26(23,24)13-5-2-11(3-6-13)16-8-9-17(25-16)18(22)21-15-10-12-4-7-14(15)20-12/h2-3,5-6,8-9,12,14-15,19-20H,4,7,10H2,1H3,(H,21,22)/t12-,14+,15-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 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-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 70028158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).