N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide

C28H33N3O6S2 — CID 2309408

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide
SMILESCC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C1
InChIInChI=1S/C28H33N3O6S2/c1-27(2)15-22-16-28(3,18-27)19-31(22)39(35,36)25-10-6-20(7-11-25)26(32)30-21-8-12-24(13-9-21)38(33,34)29-17-23-5-4-14-37-23/h4-14,22,29H,15-19H2,1-3H3,(H,30,32)/t22-,28-/m0/s1
InChIKeyBCMWLZBJAAMAFI-DWACAAAGSA-N
MW571.72 g/mol
LogP4.60
Rot. Bonds8

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide (PubChem CID 2309408) has the molecular formula C28H33N3O6S2 and a molecular weight of 571.72 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide
PubChem CID2309408
Molecular FormulaC28H33N3O6S2
Molecular Weight571.72 g/mol
Exact Mass571.18
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide
SMILESCC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C1
InChIInChI=1S/C28H33N3O6S2/c1-27(2)15-22-16-28(3,18-27)19-31(22)39(35,36)25-10-6-20(7-11-25)26(32)30-21-8-12-24(13-9-21)38(33,34)29-17-23-5-4-14-37-23/h4-14,22,29H,15-19H2,1-3H3,(H,30,32)/t22-,28-/m0/s1
InChIKeyBCMWLZBJAAMAFI-DWACAAAGSA-N
XLogP4.60
TPSA125.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.72
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 98392756
[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2122621
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
4-fluoro-N-[3-[[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]phenyl]benzamide
CID 26314487
4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzoic acid
CID 3705367
N-(2,3-dihydro-1H-inden-5-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 26864849
N-(4-methylpiperazin-1-yl)-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzamide
CID 4180197
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24539659
6-(benzenesulfonyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 60639753
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylsulfonyl-3-nitrobenzamide
CID 4849467

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide (CID 2309408) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide is CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)C1.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide?
The InChIKey is BCMWLZBJAAMAFI-DWACAAAGSA-N. The full InChI is InChI=1S/C28H33N3O6S2/c1-27(2)15-22-16-28(3,18-27)19-31(22)39(35,36)25-10-6-20(7-11-25)26(32)30-21-8-12-24(13-9-21)38(33,34)29-17-23-5-4-14-37-23/h4-14,22,29H,15-19H2,1-3H3,(H,30,32)/t22-,28-/m0/s1.
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide has a molecular weight of 571.72 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzamide is sourced from PubChem (CID 2309408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).