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

C18H19N3O2S2 — CID 110317833

IUPAC4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C18H19N3O2S2/c1-2-14-3-5-16(6-4-14)25(22,23)20-12-9-18-21-17(13-24-18)15-7-10-19-11-8-15/h3-8,10-11,13,20H,2,9,12H2,1H3
InChIKeyUSDPJCMBUYQIJR-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.29
Rot. Bonds7

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

4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110317833) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110317833
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C18H19N3O2S2/c1-2-14-3-5-16(6-4-14)25(22,23)20-12-9-18-21-17(13-24-18)15-7-10-19-11-8-15/h3-8,10-11,13,20H,2,9,12H2,1H3
InChIKeyUSDPJCMBUYQIJR-UHFFFAOYSA-N
XLogP3.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
4-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773764
4-methoxy-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317708
2,4-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317831
1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 154805217
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide
CID 108780120
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 24603193
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 82103288
N-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylsulfamoyl]phenyl]acetamide
CID 108780119
4-ethyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 90572298
4-(cyanomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79203421

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 110317833) is 4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is USDPJCMBUYQIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-2-14-3-5-16(6-4-14)25(22,23)20-12-9-18-21-17(13-24-18)15-7-10-19-11-8-15/h3-8,10-11,13,20H,2,9,12H2,1H3.
What are the key properties of 4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 373.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110317833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).