N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide

C19H30N2O3S2 — CID 11560358

IUPACN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H30N2O3S2/c1-3-18(22,4-2)11-16-12-25-17(20-16)21-26(23,24)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15,22H,3-11H2,1-2H3,(H,20,21)
InChIKeyGPXNWHMHQZWHPQ-UHFFFAOYSA-N
MW398.59 g/mol
LogP3.95
Rot. Bonds7

About N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide

N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide (PubChem CID 11560358) has the molecular formula C19H30N2O3S2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide
PubChem CID11560358
Molecular FormulaC19H30N2O3S2
Molecular Weight398.59 g/mol
Exact Mass398.17
IUPAC NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H30N2O3S2/c1-3-18(22,4-2)11-16-12-25-17(20-16)21-26(23,24)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15,22H,3-11H2,1-2H3,(H,20,21)
InChIKeyGPXNWHMHQZWHPQ-UHFFFAOYSA-N
XLogP3.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide 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-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide?
The IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide (CID 11560358) is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide.
What is the SMILES notation for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide?
The canonical SMILES for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide is CCC(O)(CC)Cc1csc(NS(=O)(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide?
The InChIKey is GPXNWHMHQZWHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S2/c1-3-18(22,4-2)11-16-12-25-17(20-16)21-26(23,24)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15,22H,3-11H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide?
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide has a molecular weight of 398.59 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]adamantane-1-sulfonamide is sourced from PubChem (CID 11560358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).