4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

C24H26FN3O4S — CID 118035419

IUPAC4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)c1ccc(NS(=O)(=O)c4ccccc4F)cc1)C(C3)C2
InChIInChI=1S/C24H26FN3O4S/c25-19-3-1-2-4-20(19)33(31,32)28-18-7-5-15(6-8-18)22(29)27-21-16-9-14-10-17(21)13-24(11-14,12-16)23(26)30/h1-8,14,16-17,21,28H,9-13H2,(H2,26,30)(H,27,29)
InChIKeyUYZNKUKEBGKMEX-UHFFFAOYSA-N
MW471.55 g/mol
LogP3.04
Rot. Bonds6

About 4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (PubChem CID 118035419) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is 4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
PubChem CID118035419
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Name4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)c1ccc(NS(=O)(=O)c4ccccc4F)cc1)C(C3)C2
InChIInChI=1S/C24H26FN3O4S/c25-19-3-1-2-4-20(19)33(31,32)28-18-7-5-15(6-8-18)22(29)27-21-16-9-14-10-17(21)13-24(11-14,12-16)23(26)30/h1-8,14,16-17,21,28H,9-13H2,(H2,26,30)(H,27,29)
InChIKeyUYZNKUKEBGKMEX-UHFFFAOYSA-N
XLogP3.04
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (CID 118035419) is 4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is NC(=O)C12CC3CC(C1)C(NC(=O)c1ccc(NS(=O)(=O)c4ccccc4F)cc1)C(C3)C2.
What is the InChIKey of 4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The InChIKey is UYZNKUKEBGKMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c25-19-3-1-2-4-20(19)33(31,32)28-18-7-5-15(6-8-18)22(29)27-21-16-9-14-10-17(21)13-24(11-14,12-16)23(26)30/h1-8,14,16-17,21,28H,9-13H2,(H2,26,30)(H,27,29).
What are the key properties of 4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-fluorophenyl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 118035419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).