N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C25H30N2O4S — CID 3257461

IUPACN-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1C
InChIInChI=1S/C25H30N2O4S/c1-16-7-8-20(12-23(16)32(29,30)27-21-5-3-4-6-22(21)31-2)24(28)26-25-13-17-9-18(14-25)11-19(10-17)15-25/h3-8,12,17-19,27H,9-11,13-15H2,1-2H3,(H,26,28)
InChIKeyYJQDOAZQFVFBDT-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.50
Rot. Bonds6

About N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 3257461) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID3257461
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC NameN-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1C
InChIInChI=1S/C25H30N2O4S/c1-16-7-8-20(12-23(16)32(29,30)27-21-5-3-4-6-22(21)31-2)24(28)26-25-13-17-9-18(14-25)11-19(10-17)15-25/h3-8,12,17-19,27H,9-11,13-15H2,1-2H3,(H,26,28)
InChIKeyYJQDOAZQFVFBDT-UHFFFAOYSA-N
XLogP4.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
N-(1-adamantyl)-4-(benzenesulfonamido)-3-methylbenzamide
CID 19062748
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2336291
N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 96517593
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55945307
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55954729
N-(5-chloro-2-hydroxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 56581281
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364363
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 3257461) is N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1C.
What is the InChIKey of N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is YJQDOAZQFVFBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-16-7-8-20(12-23(16)32(29,30)27-21-5-3-4-6-22(21)31-2)24(28)26-25-13-17-9-18(14-25)11-19(10-17)15-25/h3-8,12,17-19,27H,9-11,13-15H2,1-2H3,(H,26,28).
What are the key properties of N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 454.59 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 3257461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).