methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

C21H24N2O6S — CID 30839746

IUPACmethyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24N2O6S/c1-3-15-4-5-17(14-19(15)30(26,27)23-10-12-29-13-11-23)20(24)22-18-8-6-16(7-9-18)21(25)28-2/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)
InChIKeyPFZLMBGPGGNTHW-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.31
Rot. Bonds6

About methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate

methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 30839746) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
PubChem CID30839746
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Namemethyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCCc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H24N2O6S/c1-3-15-4-5-17(14-19(15)30(26,27)23-10-12-29-13-11-23)20(24)22-18-8-6-16(7-9-18)21(25)28-2/h4-9,14H,3,10-13H2,1-2H3,(H,22,24)
InChIKeyPFZLMBGPGGNTHW-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30840501
N-(4-chloro-3-cyanophenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579596
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058965
propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4849600
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838075
methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 39888374
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584228
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838866
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (CID 30839746) is methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is CCc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is PFZLMBGPGGNTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-3-15-4-5-17(14-19(15)30(26,27)23-10-12-29-13-11-23)20(24)22-18-8-6-16(7-9-18)21(25)28-2/h4-9,14H,3,10-13H2,1-2H3,(H,22,24).
What are the key properties of methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 432.50 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 30839746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).