4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

C24H24F3N3O4S — CID 118260382

IUPAC4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(NS(=O)(=O)c4cc(F)c(F)cc4F)c1)C(C3)C2
InChIInChI=1S/C24H24F3N3O4S/c25-17-7-19(27)20(8-18(17)26)35(33,34)30-16-3-1-2-13(6-16)22(31)29-21-14-4-12-5-15(21)11-24(9-12,10-14)23(28)32/h1-3,6-8,12,14-15,21,30H,4-5,9-11H2,(H2,28,32)(H,29,31)
InChIKeyORKDZRZGDMRKMW-UHFFFAOYSA-N
MW507.53 g/mol
LogP3.31
Rot. Bonds6

About 4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (PubChem CID 118260382) has the molecular formula C24H24F3N3O4S and a molecular weight of 507.53 g/mol. Its IUPAC name is 4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
PubChem CID118260382
Molecular FormulaC24H24F3N3O4S
Molecular Weight507.53 g/mol
Exact Mass507.14
IUPAC Name4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(NS(=O)(=O)c4cc(F)c(F)cc4F)c1)C(C3)C2
InChIInChI=1S/C24H24F3N3O4S/c25-17-7-19(27)20(8-18(17)26)35(33,34)30-16-3-1-2-13(6-16)22(31)29-21-14-4-12-5-15(21)11-24(9-12,10-14)23(28)32/h1-3,6-8,12,14-15,21,30H,4-5,9-11H2,(H2,28,32)(H,29,31)
InChIKeyORKDZRZGDMRKMW-UHFFFAOYSA-N
XLogP3.31
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.53
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[[3-[(2,4,5-trifluorophenyl)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-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260375
4-[[3-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118260381
N-(5-carbamoyl-2-adamantyl)-3-[(3-chloro-2-fluorophenyl)sulfonylamino]benzenecarboximidate
CID 131635818
(3R)-4-[[1-[[(3,4-difluorophenyl)sulfonylamino]methyl]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118049692
4-[[2-fluoro-5-(methylamino)benzoyl]amino]adamantane-1-carboxamide
CID 118049701
4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294198
4-[[3-[(3-chlorophenyl)sulfonyl-methylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118035168
4-[[1-[(2-fluorobenzoyl)amino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035157
4-[[2-[(3-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 127039136
4-[[2-[(2,5-dichlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 118035384
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

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (CID 118260382) is 4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is NC(=O)C12CC3CC(C1)C(NC(=O)c1cccc(NS(=O)(=O)c4cc(F)c(F)cc4F)c1)C(C3)C2.
What is the InChIKey of 4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The InChIKey is ORKDZRZGDMRKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4S/c25-17-7-19(27)20(8-18(17)26)35(33,34)30-16-3-1-2-13(6-16)22(31)29-21-14-4-12-5-15(21)11-24(9-12,10-14)23(28)32/h1-3,6-8,12,14-15,21,30H,4-5,9-11H2,(H2,28,32)(H,29,31).
What are the key properties of 4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide has a molecular weight of 507.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2,4,5-trifluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 118260382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).