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

C18H17N3O3S2 — CID 7119064

IUPAC4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-13(22)14-4-6-17(7-5-14)26(23,24)20-10-8-16-12-25-18(21-16)15-3-2-9-19-11-15/h2-7,9,11-12,20H,8,10H2,1H3
InChIKeyQXNLDVKMGFYFSP-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.93
Rot. Bonds7

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

4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 7119064) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID7119064
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-13(22)14-4-6-17(7-5-14)26(23,24)20-10-8-16-12-25-18(21-16)15-3-2-9-19-11-15/h2-7,9,11-12,20H,8,10H2,1H3
InChIKeyQXNLDVKMGFYFSP-UHFFFAOYSA-N
XLogP2.93
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-acetyl-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-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 7119064) is 4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is QXNLDVKMGFYFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-13(22)14-4-6-17(7-5-14)26(23,24)20-10-8-16-12-25-18(21-16)15-3-2-9-19-11-15/h2-7,9,11-12,20H,8,10H2,1H3.
What are the key properties of 4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 387.49 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7119064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).