N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide

C20H28N2O4S — CID 27514427

IUPACN-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1OC
InChIInChI=1S/C20H28N2O4S/c1-21-27(24,25)18-8-16(3-4-17(18)26-2)19(23)22-12-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15,21H,5-7,9-12H2,1-2H3,(H,22,23)
InChIKeyGUOCJMNQIKLMGY-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.55
Rot. Bonds6

About N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide

N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 27514427) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID27514427
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1OC
InChIInChI=1S/C20H28N2O4S/c1-21-27(24,25)18-8-16(3-4-17(18)26-2)19(23)22-12-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15,21H,5-7,9-12H2,1-2H3,(H,22,23)
InChIKeyGUOCJMNQIKLMGY-UHFFFAOYSA-N
XLogP2.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 45373547
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 51872779
N-(1-adamantylmethyl)naphthalene-2-carboxamide
CID 4284451
N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide
CID 28538241
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 40742236
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55947605
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 56551947
N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26202942

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide (CID 27514427) is N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1OC.
What is the InChIKey of N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is GUOCJMNQIKLMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-21-27(24,25)18-8-16(3-4-17(18)26-2)19(23)22-12-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15,21H,5-7,9-12H2,1-2H3,(H,22,23).
What are the key properties of N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 392.52 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 27514427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).