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

C21H23N3O7S — CID 3986167

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H23N3O7S/c25-19(15-31-20(26)14-22-21(27)16-4-2-1-3-5-16)23-17-6-8-18(9-7-17)32(28,29)24-10-12-30-13-11-24/h1-9H,10-15H2,(H,22,27)(H,23,25)
InChIKeyVIWHJKLNIPLSOV-UHFFFAOYSA-N
MW461.50 g/mol
LogP0.62
Rot. Bonds8

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

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 3986167) has the molecular formula C21H23N3O7S and a molecular weight of 461.50 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate
PubChem CID3986167
Molecular FormulaC21H23N3O7S
Molecular Weight461.50 g/mol
Exact Mass461.13
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H23N3O7S/c25-19(15-31-20(26)14-22-21(27)16-4-2-1-3-5-16)23-17-6-8-18(9-7-17)32(28,29)24-10-12-30-13-11-24/h1-9H,10-15H2,(H,22,27)(H,23,25)
InChIKeyVIWHJKLNIPLSOV-UHFFFAOYSA-N
XLogP0.62
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

SC-74020
CID 5288596
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4121579
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(morpholin-4-ylsulfonyl)benzamide
CID 3238418
3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 3240611
3-(morpholin-4-ylsulfonyl)-N-[2-(piperidin-1-ylcarbonyl)phenyl]benzamide
CID 3245349
N-(((4-Benzoylamino)phenyl)sulfonyl)glycine
CID 130998
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2088319

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate (CID 3986167) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate is O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is VIWHJKLNIPLSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O7S/c25-19(15-31-20(26)14-22-21(27)16-4-2-1-3-5-16)23-17-6-8-18(9-7-17)32(28,29)24-10-12-30-13-11-24/h1-9H,10-15H2,(H,22,27)(H,23,25).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 461.50 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 3986167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).