N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C18H24N4O4S — CID 9303861

IUPACN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CN1CSCC1=O
InChIInChI=1S/C18H24N4O4S/c1-20(17(24)11-22-13-27-12-18(22)25)10-16(23)19-14-2-4-15(5-3-14)21-6-8-26-9-7-21/h2-5H,6-13H2,1H3,(H,19,23)
InChIKeyPKOWKGHXRNNPBO-UHFFFAOYSA-N
MW392.48 g/mol
LogP0.45
Rot. Bonds6

About N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 9303861) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID9303861
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CN1CSCC1=O
InChIInChI=1S/C18H24N4O4S/c1-20(17(24)11-22-13-27-12-18(22)25)10-16(23)19-14-2-4-15(5-3-14)21-6-8-26-9-7-21/h2-5H,6-13H2,1H3,(H,19,23)
InChIKeyPKOWKGHXRNNPBO-UHFFFAOYSA-N
XLogP0.45
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9374464
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 27850751
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 55403134
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 9409582
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55610278
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55328599
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 71944686
1-cyclopentyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359005
(2R)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 9409375

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 9303861) is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CN1CSCC1=O.
What is the InChIKey of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is PKOWKGHXRNNPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-20(17(24)11-22-13-27-12-18(22)25)10-16(23)19-14-2-4-15(5-3-14)21-6-8-26-9-7-21/h2-5H,6-13H2,1H3,(H,19,23).
What are the key properties of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 392.48 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 9303861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).