N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C22H28N2O4S — CID 41088163

IUPACN-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H28N2O4S/c25-22(24-19-10-7-16-4-1-2-5-18(16)14-19)17-8-11-21(12-9-17)29(26,27)23-15-20-6-3-13-28-20/h3,6,8-9,11-13,16,18-19,23H,1-2,4-5,7,10,14-15H2,(H,24,25)/t16-,18-,19-/m1/s1
InChIKeyKPPACPZOJUCNOB-BHIYHBOVSA-N
MW416.54 g/mol
LogP3.85
Rot. Bonds6

About N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 41088163) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID41088163
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H28N2O4S/c25-22(24-19-10-7-16-4-1-2-5-18(16)14-19)17-8-11-21(12-9-17)29(26,27)23-15-20-6-3-13-28-20/h3,6,8-9,11-13,16,18-19,23H,1-2,4-5,7,10,14-15H2,(H,24,25)/t16-,18-,19-/m1/s1
InChIKeyKPPACPZOJUCNOB-BHIYHBOVSA-N
XLogP3.85
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 41088163) is N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide is O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is KPPACPZOJUCNOB-BHIYHBOVSA-N. The full InChI is InChI=1S/C22H28N2O4S/c25-22(24-19-10-7-16-4-1-2-5-18(16)14-19)17-8-11-21(12-9-17)29(26,27)23-15-20-6-3-13-28-20/h3,6,8-9,11-13,16,18-19,23H,1-2,4-5,7,10,14-15H2,(H,24,25)/t16-,18-,19-/m1/s1.
What are the key properties of N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 416.54 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 41088163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).