[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate

C21H24N2O6S — CID 3473129

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1
InChIInChI=1S/C21H24N2O6S/c1-15-3-6-17(7-4-15)21(25)29-14-20(24)22-19-13-18(8-5-16(19)2)30(26,27)23-9-11-28-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyZEAFKNMOLOUIQD-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.12
Rot. Bonds6

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate (PubChem CID 3473129) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate
PubChem CID3473129
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1
InChIInChI=1S/C21H24N2O6S/c1-15-3-6-17(7-4-15)21(25)29-14-20(24)22-19-13-18(8-5-16(19)2)30(26,27)23-9-11-28-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyZEAFKNMOLOUIQD-UHFFFAOYSA-N
XLogP2.12
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate with MolForge

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Related Compounds

[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6107805
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 16287066
Ethyl 4-({N-[(4-methylphenyl)methyl]4-acetamidobenzenesulfonamido}methyl)benzoate
CID 4182816
Methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate
CID 24854952
2-{[2-Methyl-5-(4-morpholinylsulfonyl)benzoyl]amino}benzoic acid
CID 1251752
3-[4-(4-Methyl-piperazine-1-sulfonyl)-benzoylamino]-benzoic acid methyl ester
CID 655078
3-[4-Methyl-3-(morpholine-4-sulfonyl)-benzoylamino]-benzoic acid
CID 1081904
Methyl 3-(4-acetamidobenzenesulfonamido)-4-methylbenzoate
CID 1313100
(2-Morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2092477
(2-oxo-1H-quinolin-4-yl) 4-(dimethylsulfamoyl)benzoate
CID 2093655
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 4-(dimethylamino)benzoate
CID 2102825

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate (CID 3473129) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate?
The InChIKey is ZEAFKNMOLOUIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-15-3-6-17(7-4-15)21(25)29-14-20(24)22-19-13-18(8-5-16(19)2)30(26,27)23-9-11-28-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,24).
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate has a molecular weight of 432.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate is sourced from PubChem (CID 3473129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).