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

C18H25N3O5S — CID 21007023

IUPAC4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCCN3CCOCC3)cc2)C1=O
InChIInChI=1S/C18H25N3O5S/c1-18(2)13-27(24,25)21(17(18)23)15-5-3-14(4-6-15)16(22)19-7-8-20-9-11-26-12-10-20/h3-6H,7-13H2,1-2H3,(H,19,22)
InChIKeyLRQVIQFCEHWTIP-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.45
Rot. Bonds5

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

4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 21007023) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID21007023
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCCN3CCOCC3)cc2)C1=O
InChIInChI=1S/C18H25N3O5S/c1-18(2)13-27(24,25)21(17(18)23)15-5-3-14(4-6-15)16(22)19-7-8-20-9-11-26-12-10-20/h3-6H,7-13H2,1-2H3,(H,19,22)
InChIKeyLRQVIQFCEHWTIP-UHFFFAOYSA-N
XLogP0.45
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide with MolForge

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Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
CID 89495259
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide (CID 21007023) is 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide is CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCCN3CCOCC3)cc2)C1=O.
What is the InChIKey of 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is LRQVIQFCEHWTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-18(2)13-27(24,25)21(17(18)23)15-5-3-14(4-6-15)16(22)19-7-8-20-9-11-26-12-10-20/h3-6H,7-13H2,1-2H3,(H,19,22).
What are the key properties of 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide?
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 21007023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).