[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate

C20H23ClN2O6S — CID 55525104

IUPAC[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
SMILESCC(Oc1cccc(Cl)c1)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H23ClN2O6S/c1-14(29-17-9-6-8-16(21)11-17)20(25)28-13-19(24)22-12-15-7-4-5-10-18(15)30(26,27)23(2)3/h4-11,14H,12-13H2,1-3H3,(H,22,24)
InChIKeyUHMBMYNFMUXRNS-UHFFFAOYSA-N
MW454.93 g/mol
LogP2.22
Rot. Bonds9

About [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate

[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate (PubChem CID 55525104) has the molecular formula C20H23ClN2O6S and a molecular weight of 454.93 g/mol. Its IUPAC name is [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
PubChem CID55525104
Molecular FormulaC20H23ClN2O6S
Molecular Weight454.93 g/mol
Exact Mass454.10
IUPAC Name[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
SMILESCC(Oc1cccc(Cl)c1)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H23ClN2O6S/c1-14(29-17-9-6-8-16(21)11-17)20(25)28-13-19(24)22-12-15-7-4-5-10-18(15)30(26,27)23(2)3/h4-11,14H,12-13H2,1-3H3,(H,22,24)
InChIKeyUHMBMYNFMUXRNS-UHFFFAOYSA-N
XLogP2.22
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 30918870
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55941699
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 42935570
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 9492356
(2-benzamido-2-oxoethyl) 2-(3-chlorophenoxy)propanoate
CID 55322194
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 31164490
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 24614000
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
CID 46793726
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 55523771
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114553

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate?
The IUPAC name of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate (CID 55525104) is [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate.
What is the SMILES notation for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate?
The canonical SMILES for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate is CC(Oc1cccc(Cl)c1)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate?
The InChIKey is UHMBMYNFMUXRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O6S/c1-14(29-17-9-6-8-16(21)11-17)20(25)28-13-19(24)22-12-15-7-4-5-10-18(15)30(26,27)23(2)3/h4-11,14H,12-13H2,1-3H3,(H,22,24).
What are the key properties of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate?
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate has a molecular weight of 454.93 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate is sourced from PubChem (CID 55525104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).