N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C20H21N3O5S — CID 22695138

IUPACN-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C20H21N3O5S/c24-19-9-14-29(26,27)23(19)16-7-5-15(6-8-16)20(25)21-17-3-1-2-4-18(17)22-10-12-28-13-11-22/h1-8H,9-14H2,(H,21,25)
InChIKeyHYIDKFUWVFBXSQ-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.84
Rot. Bonds4

About N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 22695138) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID22695138
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C20H21N3O5S/c24-19-9-14-29(26,27)23(19)16-7-5-15(6-8-16)20(25)21-17-3-1-2-4-18(17)22-10-12-28-13-11-22/h1-8H,9-14H2,(H,21,25)
InChIKeyHYIDKFUWVFBXSQ-UHFFFAOYSA-N
XLogP1.84
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide
CID 110407862
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
4-[(R)-methylsulfinyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 95332749
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557741
N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17437757
4-(2-methylpropyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 17438048
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
2-ethoxy-N-(2-morpholin-4-ylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005717

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 22695138) is N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccccc1N1CCOCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is HYIDKFUWVFBXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c24-19-9-14-29(26,27)23(19)16-7-5-15(6-8-16)20(25)21-17-3-1-2-4-18(17)22-10-12-28-13-11-22/h1-8H,9-14H2,(H,21,25).
What are the key properties of N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 415.47 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 22695138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).