2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C21H25N3O7S2 — CID 21005717

IUPAC2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H25N3O7S2/c1-2-31-19-8-7-16(24-21(25)9-14-32(24,26)27)15-20(19)33(28,29)22-17-5-3-4-6-18(17)23-10-12-30-13-11-23/h3-8,15,22H,2,9-14H2,1H3
InChIKeyPLNSTJBIZMCSHY-UHFFFAOYSA-N
MW495.58 g/mol
LogP1.79
Rot. Bonds7

About 2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 21005717) has the molecular formula C21H25N3O7S2 and a molecular weight of 495.58 g/mol. Its IUPAC name is 2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID21005717
Molecular FormulaC21H25N3O7S2
Molecular Weight495.58 g/mol
Exact Mass495.11
IUPAC Name2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H25N3O7S2/c1-2-31-19-8-7-16(24-21(25)9-14-32(24,26)27)15-20(19)33(28,29)22-17-5-3-4-6-18(17)23-10-12-30-13-11-23/h3-8,15,22H,2,9-14H2,1H3
InChIKeyPLNSTJBIZMCSHY-UHFFFAOYSA-N
XLogP1.79
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-difluorophenyl)-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005723
2-ethoxy-N-(2-ethyl-6-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005687
N-(2-ethoxyphenyl)-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694559
N-tert-butyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005669
2-ethoxy-N-(4-fluorophenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005695
N-cyclopropyl-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005629
N-(2-chlorophenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996101
N-(2-ethylphenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995978
N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 22695138
N-(2-fluorophenyl)-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694548
N-(4-bromo-2-methylphenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004930
N-(2-cyanophenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695181

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 21005717) is 2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is PLNSTJBIZMCSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O7S2/c1-2-31-19-8-7-16(24-21(25)9-14-32(24,26)27)15-20(19)33(28,29)22-17-5-3-4-6-18(17)23-10-12-30-13-11-23/h3-8,15,22H,2,9-14H2,1H3.
What are the key properties of 2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 495.58 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 21005717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).