[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate

C22H27NO5S — CID 55314582

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCCc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C22H27NO5S/c1-4-7-17-8-10-18(11-9-17)21(24)16-28-22(25)19-12-14-20(15-13-19)29(26,27)23(5-2)6-3/h8-15H,4-7,16H2,1-3H3
InChIKeyUVPNWNNYKAXGGH-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.71
Rot. Bonds10

About [2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate

[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate (PubChem CID 55314582) has the molecular formula C22H27NO5S and a molecular weight of 417.53 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
PubChem CID55314582
Molecular FormulaC22H27NO5S
Molecular Weight417.53 g/mol
Exact Mass417.16
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCCc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C22H27NO5S/c1-4-7-17-8-10-18(11-9-17)21(24)16-28-22(25)19-12-14-20(15-13-19)29(26,27)23(5-2)6-3/h8-15H,4-7,16H2,1-3H3
InChIKeyUVPNWNNYKAXGGH-UHFFFAOYSA-N
XLogP3.71
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2364687
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 8000290
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 9338816
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 8705320
[2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 8705370
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557613
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536
[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2431081
[4-(2-methoxyethyl)phenyl] 4-(diethylsulfamoyl)benzoate
CID 8867429
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate (CID 55314582) is [2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate is CCCc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate?
The InChIKey is UVPNWNNYKAXGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5S/c1-4-7-17-8-10-18(11-9-17)21(24)16-28-22(25)19-12-14-20(15-13-19)29(26,27)23(5-2)6-3/h8-15H,4-7,16H2,1-3H3.
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate?
[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate has a molecular weight of 417.53 g/mol, XLogP of 3.71, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 55314582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).