methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate

C22H28N2O5S — CID 17483777

IUPACmethyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(CC(=O)OC)c2ccccc2)c1
InChIInChI=1S/C22H28N2O5S/c1-5-24(6-2)30(27,28)18-13-12-16(3)19(14-18)22(26)23-20(15-21(25)29-4)17-10-8-7-9-11-17/h7-14,20H,5-6,15H2,1-4H3,(H,23,26)
InChIKeyYPMYSZQGBAINPE-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.06
Rot. Bonds9

About methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate

methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate (PubChem CID 17483777) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate
PubChem CID17483777
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Namemethyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(CC(=O)OC)c2ccccc2)c1
InChIInChI=1S/C22H28N2O5S/c1-5-24(6-2)30(27,28)18-13-12-16(3)19(14-18)22(26)23-20(15-21(25)29-4)17-10-8-7-9-11-17/h7-14,20H,5-6,15H2,1-4H3,(H,23,26)
InChIKeyYPMYSZQGBAINPE-UHFFFAOYSA-N
XLogP3.06
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46603309
N-[1-(3-acetamidophenyl)ethyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43057860
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119213891
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]-3-phenylpropanoate
CID 24516849
(E)-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]hex-4-enoic acid
CID 120693637
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 99130880
5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 26177992
methyl 3-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]-3-(4-fluorophenyl)propanoate
CID 55994276
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate (CID 17483777) is methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(CC(=O)OC)c2ccccc2)c1.
What is the InChIKey of methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate?
The InChIKey is YPMYSZQGBAINPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-5-24(6-2)30(27,28)18-13-12-16(3)19(14-18)22(26)23-20(15-21(25)29-4)17-10-8-7-9-11-17/h7-14,20H,5-6,15H2,1-4H3,(H,23,26).
What are the key properties of methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate?
methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate has a molecular weight of 432.54 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 17483777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).