N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide

C21H24N2O3S2 — CID 5064484

IUPACN-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C21H24N2O3S2/c24-20(22-21-11-14-8-15(12-21)10-16(9-14)13-21)17-4-1-2-5-18(17)23-28(25,26)19-6-3-7-27-19/h1-7,14-16,23H,8-13H2,(H,22,24)
InChIKeyKQAMXEREHAPPFD-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.25
Rot. Bonds5

About N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide

N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 5064484) has the molecular formula C21H24N2O3S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID5064484
Molecular FormulaC21H24N2O3S2
Molecular Weight416.57 g/mol
Exact Mass416.12
IUPAC NameN-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C21H24N2O3S2/c24-20(22-21-11-14-8-15(12-21)10-16(9-14)13-21)17-4-1-2-5-18(17)23-28(25,26)19-6-3-7-27-19/h1-7,14-16,23H,8-13H2,(H,22,24)
InChIKeyKQAMXEREHAPPFD-UHFFFAOYSA-N
XLogP4.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 43016985
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
CID 42912536
N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 46652903
2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 25038247
N-[2-[[[(E)-cyclohex-3-en-1-ylidenemethyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 7024273
N-[2-[[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 2352679
N-[4-(1-adamantylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 22202875
N-[2-[(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698726
N-(2,6-dibromo-4-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2473604
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
3-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 141476428

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide (CID 5064484) is N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is KQAMXEREHAPPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S2/c24-20(22-21-11-14-8-15(12-21)10-16(9-14)13-21)17-4-1-2-5-18(17)23-28(25,26)19-6-3-7-27-19/h1-7,14-16,23H,8-13H2,(H,22,24).
What are the key properties of N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide?
N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 416.57 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 5064484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).