methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate

C22H28N2O7S — CID 55650630

IUPACmethyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCc2ccc(OC)c(C(=O)OC)c2)c1
InChIInChI=1S/C22H28N2O7S/c1-6-24(7-2)32(27,28)16-9-11-19(29-3)17(13-16)21(25)23-14-15-8-10-20(30-4)18(12-15)22(26)31-5/h8-13H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyFTYFUBLITWHLAK-UHFFFAOYSA-N
MW464.54 g/mol
LogP2.45
Rot. Bonds10

About methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate

methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate (PubChem CID 55650630) has the molecular formula C22H28N2O7S and a molecular weight of 464.54 g/mol. Its IUPAC name is methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate
PubChem CID55650630
Molecular FormulaC22H28N2O7S
Molecular Weight464.54 g/mol
Exact Mass464.16
IUPAC Namemethyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCc2ccc(OC)c(C(=O)OC)c2)c1
InChIInChI=1S/C22H28N2O7S/c1-6-24(7-2)32(27,28)16-9-11-19(29-3)17(13-16)21(25)23-14-15-8-10-20(30-4)18(12-15)22(26)31-5/h8-13H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyFTYFUBLITWHLAK-UHFFFAOYSA-N
XLogP2.45
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
5-(diethylsulfamoyl)-2-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 33161310
5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 39912911
5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55679317
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
5-(diethylsulfamoyl)-2-methoxy-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56577421
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)-2-methoxybenzamide
CID 19257762
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide
CID 7603394
5-(diethylsulfamoyl)-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 19257817
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate (CID 55650630) is methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate is CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCc2ccc(OC)c(C(=O)OC)c2)c1.
What is the InChIKey of methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate?
The InChIKey is FTYFUBLITWHLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O7S/c1-6-24(7-2)32(27,28)16-9-11-19(29-3)17(13-16)21(25)23-14-15-8-10-20(30-4)18(12-15)22(26)31-5/h8-13H,6-7,14H2,1-5H3,(H,23,25).
What are the key properties of methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate?
methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate has a molecular weight of 464.54 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 55650630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).