4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

C25H26F3N3O4S — CID 118260375

IUPAC4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(NS(=O)(=O)c4ccccc4C(F)(F)F)c1)C(C3)C2
InChIInChI=1S/C25H26F3N3O4S/c26-25(27,28)19-6-1-2-7-20(19)36(34,35)31-18-5-3-4-15(10-18)22(32)30-21-16-8-14-9-17(21)13-24(11-14,12-16)23(29)33/h1-7,10,14,16-17,21,31H,8-9,11-13H2,(H2,29,33)(H,30,32)
InChIKeyQEUFHIFPOKFCOD-UHFFFAOYSA-N
MW521.56 g/mol
LogP3.92
Rot. Bonds6

About 4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (PubChem CID 118260375) has the molecular formula C25H26F3N3O4S and a molecular weight of 521.56 g/mol. Its IUPAC name is 4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
PubChem CID118260375
Molecular FormulaC25H26F3N3O4S
Molecular Weight521.56 g/mol
Exact Mass521.16
IUPAC Name4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(NS(=O)(=O)c4ccccc4C(F)(F)F)c1)C(C3)C2
InChIInChI=1S/C25H26F3N3O4S/c26-25(27,28)19-6-1-2-7-20(19)36(34,35)31-18-5-3-4-15(10-18)22(32)30-21-16-8-14-9-17(21)13-24(11-14,12-16)23(29)33/h1-7,10,14,16-17,21,31H,8-9,11-13H2,(H2,29,33)(H,30,32)
InChIKeyQEUFHIFPOKFCOD-UHFFFAOYSA-N
XLogP3.92
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.56
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260382
4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260381
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
N-(5-carbamoyl-2-adamantyl)-3-[(3-chloro-2-fluorophenyl)sulfonylamino]benzenecarboximidate
CID 131635818
ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5088845
4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118035168
4-[[2-methyl-2-[4-(trifluoromethyl)anilino]propanoyl]amino]adamantane-1-carboxamide
CID 66628799
4-[[2-[(3-chlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 71511231
4-[[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 90294151
(2S)-N-(5-carbamoyl-2-adamantyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 53324718
(3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118049692
(3S,5R)-4-[(1-phenylcyclopropanecarbonyl)amino]adamantane-1-carboxamide
CID 11624224

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (CID 118260375) is 4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is NC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(NS(=O)(=O)c4ccccc4C(F)(F)F)c1)C(C3)C2.
What is the InChIKey of 4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The InChIKey is QEUFHIFPOKFCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O4S/c26-25(27,28)19-6-1-2-7-20(19)36(34,35)31-18-5-3-4-15(10-18)22(32)30-21-16-8-14-9-17(21)13-24(11-14,12-16)23(29)33/h1-7,10,14,16-17,21,31H,8-9,11-13H2,(H2,29,33)(H,30,32).
What are the key properties of 4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide has a molecular weight of 521.56 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 118260375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).