[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate

C22H27NO7S — CID 31197087

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H27NO7S/c1-5-23(6-2)31(26,27)21-14-17(10-13-20(21)28-4)22(25)30-15-19(24)16-8-11-18(12-9-16)29-7-3/h8-14H,5-7,15H2,1-4H3
InChIKeyRPDVCJGZDKMPDM-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.16
Rot. Bonds11

About [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate

[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate (PubChem CID 31197087) has the molecular formula C22H27NO7S and a molecular weight of 449.53 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
PubChem CID31197087
Molecular FormulaC22H27NO7S
Molecular Weight449.53 g/mol
Exact Mass449.15
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H27NO7S/c1-5-23(6-2)31(26,27)21-14-17(10-13-20(21)28-4)22(25)30-15-19(24)16-8-11-18(12-9-16)29-7-3/h8-14H,5-7,15H2,1-4H3
InChIKeyRPDVCJGZDKMPDM-UHFFFAOYSA-N
XLogP3.16
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072188
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512574
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505649
(4-chlorophenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 1322449
[2-(4-methylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072245
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512591
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512585
[2-(4-chlorophenyl)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510708
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 42981152
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512597
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7844343

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate (CID 31197087) is [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate is CCOc1ccc(C(=O)COC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
The InChIKey is RPDVCJGZDKMPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO7S/c1-5-23(6-2)31(26,27)21-14-17(10-13-20(21)28-4)22(25)30-15-19(24)16-8-11-18(12-9-16)29-7-3/h8-14H,5-7,15H2,1-4H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate has a molecular weight of 449.53 g/mol, XLogP of 3.16, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 31197087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).