5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide

C16H22N2O4S — CID 124740416

IUPAC5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]32)o1
InChIInChI=1S/C16H22N2O4S/c1-17-23(20,21)15-6-5-14(22-15)16(19)18-13-8-9-7-12(13)11-4-2-3-10(9)11/h5-6,9-13,17H,2-4,7-8H2,1H3,(H,18,19)/t9-,10+,11+,12+,13-/m1/s1
InChIKeyURULWVFMMHXPFC-QNWJLWSRSA-N
MW338.43 g/mol
LogP1.74
Rot. Bonds4

About 5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide

5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide (PubChem CID 124740416) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide
PubChem CID124740416
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]32)o1
InChIInChI=1S/C16H22N2O4S/c1-17-23(20,21)15-6-5-14(22-15)16(19)18-13-8-9-7-12(13)11-4-2-3-10(9)11/h5-6,9-13,17H,2-4,7-8H2,1H3,(H,18,19)/t9-,10+,11+,12+,13-/m1/s1
InChIKeyURULWVFMMHXPFC-QNWJLWSRSA-N
XLogP1.74
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide?
The IUPAC name of 5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide (CID 124740416) is 5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide?
The canonical SMILES for 5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]32)o1.
What is the InChIKey of 5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide?
The InChIKey is URULWVFMMHXPFC-QNWJLWSRSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-17-23(20,21)15-6-5-14(22-15)16(19)18-13-8-9-7-12(13)11-4-2-3-10(9)11/h5-6,9-13,17H,2-4,7-8H2,1H3,(H,18,19)/t9-,10+,11+,12+,13-/m1/s1.
What are the key properties of 5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide?
5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfamoyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]furan-2-carboxamide is sourced from PubChem (CID 124740416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).