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

C26H23N3O4S2 — CID 93125988

IUPACN-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide
SMILESCCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)cc1
InChIInChI=1S/C26H23N3O4S2/c1-2-33-22-14-12-21(13-15-22)29-24(30)17-34-26(29)19-8-10-20(11-9-19)28-35(31,32)23-7-3-5-18-6-4-16-27-25(18)23/h3-16,26,28H,2,17H2,1H3/t26-/m0/s1
InChIKeyFIFSKVQCAVAITL-SANMLTNESA-N
MW505.62 g/mol
LogP5.21
Rot. Bonds7

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

N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide (PubChem CID 93125988) has the molecular formula C26H23N3O4S2 and a molecular weight of 505.62 g/mol. Its IUPAC name is N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide
PubChem CID93125988
Molecular FormulaC26H23N3O4S2
Molecular Weight505.62 g/mol
Exact Mass505.11
IUPAC NameN-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide
SMILESCCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)cc1
InChIInChI=1S/C26H23N3O4S2/c1-2-33-22-14-12-21(13-15-22)29-24(30)17-34-26(29)19-8-10-20(11-9-19)28-35(31,32)23-7-3-5-18-6-4-16-27-25(18)23/h3-16,26,28H,2,17H2,1H3/t26-/m0/s1
InChIKeyFIFSKVQCAVAITL-SANMLTNESA-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

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

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Related Compounds

N-[3-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide
CID 42805309
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
CID 93126000
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
4-methoxy-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804735
N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125434
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274921
2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3288402
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021
4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804733
4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125663
3-bromo-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125670
2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3370397

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide (CID 93125988) is N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide is CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)cc1.
What is the InChIKey of N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide?
The InChIKey is FIFSKVQCAVAITL-SANMLTNESA-N. The full InChI is InChI=1S/C26H23N3O4S2/c1-2-33-22-14-12-21(13-15-22)29-24(30)17-34-26(29)19-8-10-20(11-9-19)28-35(31,32)23-7-3-5-18-6-4-16-27-25(18)23/h3-16,26,28H,2,17H2,1H3/t26-/m0/s1.
What are the key properties of N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide?
N-[4-[(2S)-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-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 93125988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).