[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate

C22H25N3O7S — CID 3498913

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C22H25N3O7S/c1-16-7-8-18(33(29,30)25-9-11-31-12-10-25)13-19(16)24-20(26)15-32-21(27)14-23-22(28)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)(H,24,26)
InChIKeyCUHJKQAIKKOBBL-UHFFFAOYSA-N
MW475.52 g/mol
LogP0.93
Rot. Bonds8

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 3498913) has the molecular formula C22H25N3O7S and a molecular weight of 475.52 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate
PubChem CID3498913
Molecular FormulaC22H25N3O7S
Molecular Weight475.52 g/mol
Exact Mass475.14
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C22H25N3O7S/c1-16-7-8-18(33(29,30)25-9-11-31-12-10-25)13-19(16)24-20(26)15-32-21(27)14-23-22(28)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)(H,24,26)
InChIKeyCUHJKQAIKKOBBL-UHFFFAOYSA-N
XLogP0.93
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
[2-(2,6-dimethylanilino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2367802
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6107805
3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 3240611
[1-[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylpiperidin-4-yl] (2S)-2-aminopropanoate
CID 156018794
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
3-methyl-N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)benzamide
CID 1051609
4-methyl-N-(3-(morpholine-4-carbonyl)phenyl)benzenesulfonamide
CID 1097769

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate (CID 3498913) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is CUHJKQAIKKOBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O7S/c1-16-7-8-18(33(29,30)25-9-11-31-12-10-25)13-19(16)24-20(26)15-32-21(27)14-23-22(28)17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,28)(H,24,26).
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 475.52 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 3498913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).