N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide

C26H32N2O3S — CID 26998902

IUPACN-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C26H32N2O3S/c1-27(18-26-15-19-11-20(16-26)13-21(12-19)17-26)25(29)22-7-6-10-24(14-22)32(30,31)28(2)23-8-4-3-5-9-23/h3-10,14,19-21H,11-13,15-18H2,1-2H3
InChIKeyHKBFCCOXHJDSFD-UHFFFAOYSA-N
MW452.62 g/mol
LogP4.80
Rot. Bonds6

About N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide

N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 26998902) has the molecular formula C26H32N2O3S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID26998902
Molecular FormulaC26H32N2O3S
Molecular Weight452.62 g/mol
Exact Mass452.21
IUPAC NameN-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C26H32N2O3S/c1-27(18-26-15-19-11-20(16-26)13-21(12-19)17-26)25(29)22-7-6-10-24(14-22)32(30,31)28(2)23-8-4-3-5-9-23/h3-10,14,19-21H,11-13,15-18H2,1-2H3
InChIKeyHKBFCCOXHJDSFD-UHFFFAOYSA-N
XLogP4.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.62
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-N-methyl-3-(methylsulfamoyl)benzamide
CID 26998920
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26665113
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 98771871
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
CID 37365014
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2331661
N-benzyl-N-(1-cyclopropylethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 75854495
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate
CID 4526537
N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46582047
2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 27011553
N-[(2-chlorophenyl)methyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26731966

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide (CID 26998902) is N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is HKBFCCOXHJDSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3S/c1-27(18-26-15-19-11-20(16-26)13-21(12-19)17-26)25(29)22-7-6-10-24(14-22)32(30,31)28(2)23-8-4-3-5-9-23/h3-10,14,19-21H,11-13,15-18H2,1-2H3.
What are the key properties of N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide?
N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 452.62 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 26998902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).