(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate

C18H21NO5S — CID 2603742

IUPAC(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCCOc1ccccc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H21NO5S/c1-4-23-17-8-6-5-7-15(17)13-24-18(20)14-9-11-16(12-10-14)25(21,22)19(2)3/h5-12H,4,13H2,1-3H3
InChIKeyVHHSBYBIEKOTEO-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.69
Rot. Bonds7

About (2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate

(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 2603742) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate
PubChem CID2603742
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCCOc1ccccc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H21NO5S/c1-4-23-17-8-6-5-7-15(17)13-24-18(20)14-9-11-16(12-10-14)25(21,22)19(2)3/h5-12H,4,13H2,1-3H3
InChIKeyVHHSBYBIEKOTEO-UHFFFAOYSA-N
XLogP2.69
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate
CID 7844428
4-(dimethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55860503
2-(2-methylphenoxy)ethyl 4-(dimethylsulfamoyl)benzoate
CID 9271702
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7844343
(2-methylphenyl)methyl 4-(diethylsulfamoyl)benzoate
CID 7784760
ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate
CID 17465115
(2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204414
[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448392
(2-ethoxyphenyl)methyl 3-(cyclopropylsulfamoyl)benzoate
CID 35586379
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16597218
(2-methoxyphenyl)methyl 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878752
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate (CID 2603742) is (2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate is CCOc1ccccc1COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of (2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is VHHSBYBIEKOTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-4-23-17-8-6-5-7-15(17)13-24-18(20)14-9-11-16(12-10-14)25(21,22)19(2)3/h5-12H,4,13H2,1-3H3.
What are the key properties of (2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate?
(2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate has a molecular weight of 363.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2603742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).