[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate

C18H20N2O5S — CID 7851108

IUPAC[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O5S/c1-3-18(22)25-13-17(21)19-14-8-7-11-16(12-14)26(23,24)20(2)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,19,21)
InChIKeyBPAHLYXVHPAGHB-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.40
Rot. Bonds7

About [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate

[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate (PubChem CID 7851108) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
PubChem CID7851108
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O5S/c1-3-18(22)25-13-17(21)19-14-8-7-11-16(12-14)26(23,24)20(2)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,19,21)
InChIKeyBPAHLYXVHPAGHB-UHFFFAOYSA-N
XLogP2.40
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate
CID 8673240
2-(2-ethoxyphenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 30601573
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 3-fluorobenzoate
CID 18777850
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] adamantane-1-carboxylate
CID 4526537
2-(4-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 42989226
2-(3-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 26896390
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
ethyl 3-[4-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097503
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 24981815
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate
CID 8634998

Frequently Asked Questions

What is the IUPAC name of [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate?
The IUPAC name of [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate (CID 7851108) is [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate.
What is the SMILES notation for [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate?
The canonical SMILES for [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate is CCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate?
The InChIKey is BPAHLYXVHPAGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-18(22)25-13-17(21)19-14-8-7-11-16(12-14)26(23,24)20(2)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,19,21).
What are the key properties of [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate?
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate has a molecular weight of 376.43 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate is sourced from PubChem (CID 7851108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).