(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

C21H26N2O6S — CID 46548136

IUPAC(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O6S/c1-4-23(5-2)30(26,27)19-11-9-17(10-12-19)21(25)22-14-20(24)29-15-16-7-6-8-18(13-16)28-3/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeySEJHIFKPYQDPPT-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.20
Rot. Bonds10

About (3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 46548136) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
PubChem CID46548136
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O6S/c1-4-23(5-2)30(26,27)19-11-9-17(10-12-19)21(25)22-14-20(24)29-15-16-7-6-8-18(13-16)28-3/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeySEJHIFKPYQDPPT-UHFFFAOYSA-N
XLogP2.20
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088
4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 54233472
methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
CID 8705374
(3-phenyl-1,2-oxazol-5-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55474493
[2-(3-acetylanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304230
[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55303991
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356727
(3-methoxyphenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate
CID 32713096
(5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55419195
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304005
ethyl 2-[(3-methoxyphenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetate
CID 10691967

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of (3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (CID 46548136) is (3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2cccc(OC)c2)cc1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is SEJHIFKPYQDPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-4-23(5-2)30(26,27)19-11-9-17(10-12-19)21(25)22-14-20(24)29-15-16-7-6-8-18(13-16)28-3/h6-13H,4-5,14-15H2,1-3H3,(H,22,25).
What are the key properties of (3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 434.51 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 46548136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).