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

C22H28N2O4S — CID 41088161

IUPACN-[(2R,4aS,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+/m0/s1
InChIKeyKPPACPZOJUCNOB-QXAKKESOSA-N
MW416.54 g/mol
LogP3.85
Rot. Bonds6

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

N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 41088161) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID41088161
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[(2R,4aS,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+/m0/s1
InChIKeyKPPACPZOJUCNOB-QXAKKESOSA-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,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide with MolForge

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Related Compounds

N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41088163
N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24539659
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 16589890
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24584102
(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9214535
N-(2,3-dihydro-1H-inden-5-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 26864849
(E)-N-cyclohexyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9337836
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526919
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 7534970
N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9087663
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4aS,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,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 41088161) is N-[(2R,4aS,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,4aS,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,4aS,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,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is KPPACPZOJUCNOB-QXAKKESOSA-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+/m0/s1.
What are the key properties of N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[(2R,4aS,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,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 41088161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).