4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

C20H23N3O3S2 — CID 18554598

IUPAC4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-2-3-13-26-18-6-8-19(9-7-18)28(24,25)22-12-10-17-15-27-20(23-17)16-5-4-11-21-14-16/h4-9,11,14-15,22H,2-3,10,12-13H2,1H3
InChIKeyUUOJFMUIOSCXSQ-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.90
Rot. Bonds10

About 4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 18554598) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID18554598
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-2-3-13-26-18-6-8-19(9-7-18)28(24,25)22-12-10-17-15-27-20(23-17)16-5-4-11-21-14-16/h4-9,11,14-15,22H,2-3,10,12-13H2,1H3
InChIKeyUUOJFMUIOSCXSQ-UHFFFAOYSA-N
XLogP3.90
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide 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-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 18554598) is 4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is CCCCOc1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is UUOJFMUIOSCXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-2-3-13-26-18-6-8-19(9-7-18)28(24,25)22-12-10-17-15-27-20(23-17)16-5-4-11-21-14-16/h4-9,11,14-15,22H,2-3,10,12-13H2,1H3.
What are the key properties of 4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 417.56 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 18554598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).