methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate

C25H26N2O5S — CID 37417742

IUPACmethyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H26N2O5S/c1-18-5-15-23(16-6-18)33(30,31)27(3)22-13-11-20(12-14-22)24(28)26(2)17-19-7-9-21(10-8-19)25(29)32-4/h5-16H,17H2,1-4H3
InChIKeyDUVFZOCNUIXVPH-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.88
Rot. Bonds7

About methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate

methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate (PubChem CID 37417742) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate
PubChem CID37417742
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Namemethyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H26N2O5S/c1-18-5-15-23(16-6-18)33(30,31)27(3)22-13-11-20(12-14-22)24(28)26(2)17-19-7-9-21(10-8-19)25(29)32-4/h5-16H,17H2,1-4H3
InChIKeyDUVFZOCNUIXVPH-UHFFFAOYSA-N
XLogP3.88
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate with MolForge

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Related Compounds

N-benzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-methylbenzamide
CID 3472525
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 17413733
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26722152
N-[(3-cyanophenyl)methyl]-N-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 32590677
N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55615012
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 55422664
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 47009631
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
N,N-dibenzyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788127
methyl 4-[[[(Z)-4-hydroxybut-2-enyl]-(4-methylphenyl)sulfonylamino]methyl]benzoate
CID 44541126
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate (CID 37417742) is methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate is COC(=O)c1ccc(CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate?
The InChIKey is DUVFZOCNUIXVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-18-5-15-23(16-6-18)33(30,31)27(3)22-13-11-20(12-14-22)24(28)26(2)17-19-7-9-21(10-8-19)25(29)32-4/h5-16H,17H2,1-4H3.
What are the key properties of methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate?
methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate has a molecular weight of 466.56 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[methyl-[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]methyl]benzoate is sourced from PubChem (CID 37417742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).