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

C20H22N2O7S — CID 2645840

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O7S/c23-19(14-29-20(24)15-28-17-4-2-1-3-5-17)21-16-6-8-18(9-7-16)30(25,26)22-10-12-27-13-11-22/h1-9H,10-15H2,(H,21,23)
InChIKeyBPZDOXNXOCTJMT-UHFFFAOYSA-N
MW434.47 g/mol
LogP1.27
Rot. Bonds8

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

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate (PubChem CID 2645840) has the molecular formula C20H22N2O7S and a molecular weight of 434.47 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate
PubChem CID2645840
Molecular FormulaC20H22N2O7S
Molecular Weight434.47 g/mol
Exact Mass434.11
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O7S/c23-19(14-29-20(24)15-28-17-4-2-1-3-5-17)21-16-6-8-18(9-7-16)30(25,26)22-10-12-27-13-11-22/h1-9H,10-15H2,(H,21,23)
InChIKeyBPZDOXNXOCTJMT-UHFFFAOYSA-N
XLogP1.27
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3282755
Acetamide, N-(4-(aminosulfonyl)phenyl)-2-(4-chlorophenoxy)-
CID 151533
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4172058
N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
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-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 3875813
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239
N-(2-ethoxyphenyl)-3-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}propanamide
CID 3245222
2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1144627

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate (CID 2645840) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is BPZDOXNXOCTJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7S/c23-19(14-29-20(24)15-28-17-4-2-1-3-5-17)21-16-6-8-18(9-7-16)30(25,26)22-10-12-27-13-11-22/h1-9H,10-15H2,(H,21,23).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 434.47 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 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-phenoxyacetate is sourced from PubChem (CID 2645840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).