[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate

C18H20N4O7S2 — CID 46605012

IUPAC[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cs1
InChIInChI=1S/C18H20N4O7S2/c1-12(23)19-18-21-15(11-30-18)17(25)29-10-16(24)20-13-3-2-4-14(9-13)31(26,27)22-5-7-28-8-6-22/h2-4,9,11H,5-8,10H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyNAJNMGNKVBBVGL-UHFFFAOYSA-N
MW468.51 g/mol
LogP0.92
Rot. Bonds7

About [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 46605012) has the molecular formula C18H20N4O7S2 and a molecular weight of 468.51 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID46605012
Molecular FormulaC18H20N4O7S2
Molecular Weight468.51 g/mol
Exact Mass468.08
IUPAC Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCC(=O)Nc1nc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cs1
InChIInChI=1S/C18H20N4O7S2/c1-12(23)19-18-21-15(11-30-18)17(25)29-10-16(24)20-13-3-2-4-14(9-13)31(26,27)22-5-7-28-8-6-22/h2-4,9,11H,5-8,10H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyNAJNMGNKVBBVGL-UHFFFAOYSA-N
XLogP0.92
TPSA144.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 16519439
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 4854297
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 4853968
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 23931904
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 55315344
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 55315274
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 55314726
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 43026610
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854118
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604829
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 4837621

Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate (CID 46605012) is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate is CC(=O)Nc1nc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cs1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is NAJNMGNKVBBVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O7S2/c1-12(23)19-18-21-15(11-30-18)17(25)29-10-16(24)20-13-3-2-4-14(9-13)31(26,27)22-5-7-28-8-6-22/h2-4,9,11H,5-8,10H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 468.51 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46605012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).