[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate

C24H23ClN2O4S — CID 35563806

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESO=C(COC(=O)CSc1cccc2cccc(Cl)c12)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H23ClN2O4S/c25-20-5-1-3-17-4-2-6-21(24(17)20)32-16-23(29)31-15-22(28)26-18-7-9-19(10-8-18)27-11-13-30-14-12-27/h1-10H,11-16H2,(H,26,28)
InChIKeyTWFAJZWMHANKLV-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.60
Rot. Bonds7

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate (PubChem CID 35563806) has the molecular formula C24H23ClN2O4S and a molecular weight of 470.98 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
PubChem CID35563806
Molecular FormulaC24H23ClN2O4S
Molecular Weight470.98 g/mol
Exact Mass470.11
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESO=C(COC(=O)CSc1cccc2cccc(Cl)c12)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H23ClN2O4S/c25-20-5-1-3-17-4-2-6-21(24(17)20)32-16-23(29)31-15-22(28)26-18-7-9-19(10-8-18)27-11-13-30-14-12-27/h1-10H,11-16H2,(H,26,28)
InChIKeyTWFAJZWMHANKLV-UHFFFAOYSA-N
XLogP4.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.60
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

2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2337002
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7985398
2-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4276577
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
4-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]benzamide
CID 4788025
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564028
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 35563802
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969375
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7153111
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148096
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 9314399

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate (CID 35563806) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate is O=C(COC(=O)CSc1cccc2cccc(Cl)c12)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The InChIKey is TWFAJZWMHANKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4S/c25-20-5-1-3-17-4-2-6-21(24(17)20)32-16-23(29)31-15-22(28)26-18-7-9-19(10-8-18)27-11-13-30-14-12-27/h1-10H,11-16H2,(H,26,28).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate has a molecular weight of 470.98 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate is sourced from PubChem (CID 35563806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).