N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide

C21H30N2O3S — CID 26866749

IUPACN-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H30N2O3S/c1-14(2)23-27(25,26)19-5-3-4-18(9-19)20(24)22-13-21-10-15-6-16(11-21)8-17(7-15)12-21/h3-5,9,14-17,23H,6-8,10-13H2,1-2H3,(H,22,24)
InChIKeyPEHQZXUUTQXZSE-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.32
Rot. Bonds6

About N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide

N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26866749) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID26866749
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC NameN-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C21H30N2O3S/c1-14(2)23-27(25,26)19-5-3-4-18(9-19)20(24)22-13-21-10-15-6-16(11-21)8-17(7-15)12-21/h3-5,9,14-17,23H,6-8,10-13H2,1-2H3,(H,22,24)
InChIKeyPEHQZXUUTQXZSE-UHFFFAOYSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26878695
N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
N-(1-adamantylmethyl)-3-iodobenzamide
CID 7921302
N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide
CID 28538241
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
CID 4553132
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 26866749) is N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is PEHQZXUUTQXZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-14(2)23-27(25,26)19-5-3-4-18(9-19)20(24)22-13-21-10-15-6-16(11-21)8-17(7-15)12-21/h3-5,9,14-17,23H,6-8,10-13H2,1-2H3,(H,22,24).
What are the key properties of N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 390.55 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26866749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).