methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate

C20H24N2O5S — CID 2673338

IUPACmethyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1
InChIInChI=1S/C20H24N2O5S/c1-5-22(6-2)28(25,26)17-11-9-15(10-12-17)19(23)21-18-13-16(20(24)27-4)8-7-14(18)3/h7-13H,5-6H2,1-4H3,(H,21,23)
InChIKeyJDGQTNZAHKCQHA-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.06
Rot. Bonds7

About methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate

methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate (PubChem CID 2673338) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
PubChem CID2673338
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Namemethyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1
InChIInChI=1S/C20H24N2O5S/c1-5-22(6-2)28(25,26)17-11-9-15(10-12-17)19(23)21-18-13-16(20(24)27-4)8-7-14(18)3/h7-13H,5-6H2,1-4H3,(H,21,23)
InChIKeyJDGQTNZAHKCQHA-UHFFFAOYSA-N
XLogP3.06
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate
CID 17392379
N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate
CID 17476649
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
CID 24510131
4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
CID 4810842
methyl 4-methyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 4822407
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
methyl 3-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-4-methylbenzoate
CID 92664160
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate (CID 2673338) is methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1.
What is the InChIKey of methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate?
The InChIKey is JDGQTNZAHKCQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-5-22(6-2)28(25,26)17-11-9-15(10-12-17)19(23)21-18-13-16(20(24)27-4)8-7-14(18)3/h7-13H,5-6H2,1-4H3,(H,21,23).
What are the key properties of methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate?
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate has a molecular weight of 404.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate is sourced from PubChem (CID 2673338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).