[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

C20H22N2O6S — CID 8705268

IUPAC[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H22N2O6S/c1-15-3-2-4-17(13-15)21-19(23)14-28-20(24)16-5-7-18(8-6-16)29(25,26)22-9-11-27-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23)
InChIKeyMMUOEWPNHWGUTD-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.81
Rot. Bonds6

About [2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate

[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (PubChem CID 8705268) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
PubChem CID8705268
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
SMILESCc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H22N2O6S/c1-15-3-2-4-17(13-15)21-19(23)14-28-20(24)16-5-7-18(8-6-16)29(25,26)22-9-11-27-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23)
InChIKeyMMUOEWPNHWGUTD-UHFFFAOYSA-N
XLogP1.81
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 55315274
[2-(4-iodoanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2353513
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 55314726
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-methylbenzoate
CID 2563126
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 55307906
[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313533
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 4853968
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 46790623
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 55314449
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521191
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854118
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 4854297

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate (CID 8705268) is [2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is Cc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
The InChIKey is MMUOEWPNHWGUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-15-3-2-4-17(13-15)21-19(23)14-28-20(24)16-5-7-18(8-6-16)29(25,26)22-9-11-27-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate?
[2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate has a molecular weight of 418.47 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 8705268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).