N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide

C26H23N3O4S2 — CID 42805309

IUPACN-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide
SMILESCCOc1ccc(N2C(=O)CSC2c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)cc1
InChIInChI=1S/C26H23N3O4S2/c1-2-33-22-13-11-21(12-14-22)29-24(30)17-34-26(29)19-7-3-9-20(16-19)28-35(31,32)23-10-4-6-18-8-5-15-27-25(18)23/h3-16,26,28H,2,17H2,1H3
InChIKeyUXPMAAJFAVVCDY-UHFFFAOYSA-N
MW505.62 g/mol
LogP5.21
Rot. Bonds7

About N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide

N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide (PubChem CID 42805309) has the molecular formula C26H23N3O4S2 and a molecular weight of 505.62 g/mol. Its IUPAC name is N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide
PubChem CID42805309
Molecular FormulaC26H23N3O4S2
Molecular Weight505.62 g/mol
Exact Mass505.11
IUPAC NameN-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide
SMILESCCOc1ccc(N2C(=O)CSC2c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)cc1
InChIInChI=1S/C26H23N3O4S2/c1-2-33-22-13-11-21(12-14-22)29-24(30)17-34-26(29)19-7-3-9-20(16-19)28-35(31,32)23-10-4-6-18-8-5-15-27-25(18)23/h3-16,26,28H,2,17H2,1H3
InChIKeyUXPMAAJFAVVCDY-UHFFFAOYSA-N
XLogP5.21
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide (CID 42805309) is N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide is CCOc1ccc(N2C(=O)CSC2c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)cc1.
What is the InChIKey of N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide?
The InChIKey is UXPMAAJFAVVCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S2/c1-2-33-22-13-11-21(12-14-22)29-24(30)17-34-26(29)19-7-3-9-20(16-19)28-35(31,32)23-10-4-6-18-8-5-15-27-25(18)23/h3-16,26,28H,2,17H2,1H3.
What are the key properties of N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide?
N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide has a molecular weight of 505.62 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 42805309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).