N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide

C22H26N2O4S — CID 24539659

IUPACN-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H26N2O4S/c25-21(24-22-11-15-8-16(12-22)10-17(9-15)13-22)18-3-5-20(6-4-18)29(26,27)23-14-19-2-1-7-28-19/h1-7,15-17,23H,8-14H2,(H,24,25)
InChIKeyWHCOSYKDWFMAQX-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.46
Rot. Bonds6

About N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide

N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24539659) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID24539659
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H26N2O4S/c25-21(24-22-11-15-8-16(12-22)10-17(9-15)13-22)18-3-5-20(6-4-18)29(26,27)23-14-19-2-1-7-28-19/h1-7,15-17,23H,8-14H2,(H,24,25)
InChIKeyWHCOSYKDWFMAQX-UHFFFAOYSA-N
XLogP3.46
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4310598
N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41088161
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-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 4788612
N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 34239048
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 7534970
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide
CID 2124044
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 60574382
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 18271449

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 24539659) is N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is WHCOSYKDWFMAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-21(24-22-11-15-8-16(12-22)10-17(9-15)13-22)18-3-5-20(6-4-18)29(26,27)23-14-19-2-1-7-28-19/h1-7,15-17,23H,8-14H2,(H,24,25).
What are the key properties of N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 414.53 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24539659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).