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

C21H24N2O6S — CID 26198227

IUPACmethyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H24N2O6S/c1-14-4-7-17(21(25)28-3)12-18(14)22-20(24)16-6-5-15(2)19(13-16)30(26,27)23-8-10-29-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,22,24)
InChIKeyFRHNKNMQOWEYDA-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.36
Rot. Bonds5

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

methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (PubChem CID 26198227) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
PubChem CID26198227
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Namemethyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H24N2O6S/c1-14-4-7-17(21(25)28-3)12-18(14)22-20(24)16-6-5-15(2)19(13-16)30(26,27)23-8-10-29-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,22,24)
InChIKeyFRHNKNMQOWEYDA-UHFFFAOYSA-N
XLogP2.36
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate with MolForge

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Related Compounds

methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
methyl 3-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26198212
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55895692
methyl 3-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]-4-methylbenzoate
CID 26864762
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2711558
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16568664
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55670048

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate (CID 26198227) is methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
The InChIKey is FRHNKNMQOWEYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-14-4-7-17(21(25)28-3)12-18(14)22-20(24)16-6-5-15(2)19(13-16)30(26,27)23-8-10-29-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,22,24).
What are the key properties of methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate?
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate has a molecular weight of 432.50 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 26198227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).