[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate

C21H24N2O7S — CID 4831338

IUPAC[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C21H24N2O7S/c1-28-19-8-7-17(31(26,27)23-9-11-29-12-10-23)14-18(19)22-20(24)15-30-21(25)13-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3,(H,22,24)
InChIKeySEZGCIWJZREMLP-UHFFFAOYSA-N
MW448.50 g/mol
LogP1.44
Rot. Bonds8

About [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate

[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate (PubChem CID 4831338) has the molecular formula C21H24N2O7S and a molecular weight of 448.50 g/mol. Its IUPAC name is [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
PubChem CID4831338
Molecular FormulaC21H24N2O7S
Molecular Weight448.50 g/mol
Exact Mass448.13
IUPAC Name[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccccc1
InChIInChI=1S/C21H24N2O7S/c1-28-19-8-7-17(31(26,27)23-9-11-29-12-10-23)14-18(19)22-20(24)15-30-21(25)13-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3,(H,22,24)
InChIKeySEZGCIWJZREMLP-UHFFFAOYSA-N
XLogP1.44
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
N-benzyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916033
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
N,7-dimethyl-3-oxo-N-phenyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 5295635
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 3354639
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
[2-[5-(Dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate
CID 3975162
[2-(2-Methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4193432
N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 4689808

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate (CID 4831338) is [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)Cc1ccccc1.
What is the InChIKey of [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is SEZGCIWJZREMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7S/c1-28-19-8-7-17(31(26,27)23-9-11-29-12-10-23)14-18(19)22-20(24)15-30-21(25)13-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3,(H,22,24).
What are the key properties of [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate?
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 448.50 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 4831338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).