4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide

C22H27F2N3O4S — CID 90294198

IUPAC4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)C1(NS(=O)(=O)c4cc(F)ccc4F)CCC1)C(C3)C2
InChIInChI=1S/C22H27F2N3O4S/c23-15-2-3-16(24)17(8-15)32(30,31)27-22(4-1-5-22)20(29)26-18-13-6-12-7-14(18)11-21(9-12,10-13)19(25)28/h2-3,8,12-14,18,27H,1,4-7,9-11H2,(H2,25,28)(H,26,29)
InChIKeyBNYXDOUFOOPIAP-UHFFFAOYSA-N
MW467.54 g/mol
LogP1.96
Rot. Bonds6

About 4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide

4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide (PubChem CID 90294198) has the molecular formula C22H27F2N3O4S and a molecular weight of 467.54 g/mol. Its IUPAC name is 4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
PubChem CID90294198
Molecular FormulaC22H27F2N3O4S
Molecular Weight467.54 g/mol
Exact Mass467.17
IUPAC Name4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)C1(NS(=O)(=O)c4cc(F)ccc4F)CCC1)C(C3)C2
InChIInChI=1S/C22H27F2N3O4S/c23-15-2-3-16(24)17(8-15)32(30,31)27-22(4-1-5-22)20(29)26-18-13-6-12-7-14(18)11-21(9-12,10-13)19(25)28/h2-3,8,12-14,18,27H,1,4-7,9-11H2,(H2,25,28)(H,26,29)
InChIKeyBNYXDOUFOOPIAP-UHFFFAOYSA-N
XLogP1.96
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide (CID 90294198) is 4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide is NC(=O)C12CC3CC(C1)C(NC(=O)C1(NS(=O)(=O)c4cc(F)ccc4F)CCC1)C(C3)C2.
What is the InChIKey of 4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide?
The InChIKey is BNYXDOUFOOPIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O4S/c23-15-2-3-16(24)17(8-15)32(30,31)27-22(4-1-5-22)20(29)26-18-13-6-12-7-14(18)11-21(9-12,10-13)19(25)28/h2-3,8,12-14,18,27H,1,4-7,9-11H2,(H2,25,28)(H,26,29).
What are the key properties of 4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide?
4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide has a molecular weight of 467.54 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2,5-difluorophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 90294198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).