N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

C21H26FN3O4S2 — CID 53320074

IUPACN-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
InChIInChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)
InChIKeyWIDBTZLJSHUYHO-UHFFFAOYSA-N
MW467.59 g/mol
LogP1.69
Rot. Bonds5

About N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide

N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (PubChem CID 53320074) has the molecular formula C21H26FN3O4S2 and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
PubChem CID53320074
Molecular FormulaC21H26FN3O4S2
Molecular Weight467.59 g/mol
Exact Mass467.13
IUPAC NameN-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2
InChIInChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26)
InChIKeyWIDBTZLJSHUYHO-UHFFFAOYSA-N
XLogP1.69
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-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 N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide (CID 53320074) is N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccccc1F)C(C3)C2.
What is the InChIKey of N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
The InChIKey is WIDBTZLJSHUYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S2/c22-15-3-1-2-4-16(15)31(28,29)25-5-6-30-19(25)18(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)20(23)27/h1-4,12-14,17,19H,5-11H2,(H2,23,27)(H,24,26).
What are the key properties of N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide?
N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-adamantyl)-3-(2-fluorophenyl)sulfonyl-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 53320074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).