N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

C22H30N2O4S — CID 34239048

IUPACN-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C22H30N2O4S/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/h3-6,15-17,19,23H,1-2,7-14H2,(H,24,25)/t15?,16?,17?,19-,22?/m1/s1
InChIKeyJQRAYQPXYJSDST-PQGQHUGISA-N
MW418.56 g/mol
LogP2.84
Rot. Bonds6

About N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 34239048) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID34239048
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C22H30N2O4S/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/h3-6,15-17,19,23H,1-2,7-14H2,(H,24,25)/t15?,16?,17?,19-,22?/m1/s1
InChIKeyJQRAYQPXYJSDST-PQGQHUGISA-N
XLogP2.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119565502
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830
4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119450353
N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 120508941
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 34239048) is N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is JQRAYQPXYJSDST-PQGQHUGISA-N. The full InChI is InChI=1S/C22H30N2O4S/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/h3-6,15-17,19,23H,1-2,7-14H2,(H,24,25)/t15?,16?,17?,19-,22?/m1/s1.
What are the key properties of N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide?
N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 418.56 g/mol, XLogP of 2.84, 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-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 34239048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).