[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate

C19H22N2O5S — CID 3399833

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-9-11-17(12-10-14)27(24,25)20-15(2)19(23)26-13-18(22)21(3)16-7-5-4-6-8-16/h4-12,15,20H,13H2,1-3H3
InChIKeyBBXOVXFNHIIJQS-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.87
Rot. Bonds7

About [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate

[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 3399833) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID3399833
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)OCC(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-14-9-11-17(12-10-14)27(24,25)20-15(2)19(23)26-13-18(22)21(3)16-7-5-4-6-8-16/h4-12,15,20H,13H2,1-3H3
InChIKeyBBXOVXFNHIIJQS-UHFFFAOYSA-N
XLogP1.87
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3882778
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 16243031
[2-(4-Cyanoanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 2077902
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2079114
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 2123041
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2320101
(2-Anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338780
2-[(4-Methylphenyl)sulfonylamino]acetic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
CID 2347404
[2-oxo-2-(4-sulfamoylanilino)ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2387412
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetate
CID 2417884

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate (CID 3399833) is [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate is Cc1ccc(S(=O)(=O)NC(C)C(=O)OCC(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is BBXOVXFNHIIJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14-9-11-17(12-10-14)27(24,25)20-15(2)19(23)26-13-18(22)21(3)16-7-5-4-6-8-16/h4-12,15,20H,13H2,1-3H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate?
[2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 390.46 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 3399833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).