[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate

C26H28N2O5S — CID 3654824

IUPAC[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C26H28N2O5S/c1-3-28(4-2)34(31,32)23-15-10-14-22(18-23)27-25(29)19-33-26(30)24-16-9-8-13-21(24)17-20-11-6-5-7-12-20/h5-16,18H,3-4,17,19H2,1-2H3,(H,27,29)
InChIKeyIZYFBJRGARORLR-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.10
Rot. Bonds10

About [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate (PubChem CID 3654824) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
PubChem CID3654824
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C26H28N2O5S/c1-3-28(4-2)34(31,32)23-15-10-14-22(18-23)27-25(29)19-33-26(30)24-16-9-8-13-21(24)17-20-11-6-5-7-12-20/h5-16,18H,3-4,17,19H2,1-2H3,(H,27,29)
InChIKeyIZYFBJRGARORLR-UHFFFAOYSA-N
XLogP4.10
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 40717948
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536329
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2338198
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334993
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
[2-(4-butylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 7809575
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578282
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate (CID 3654824) is [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate is CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)c1.
What is the InChIKey of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is IZYFBJRGARORLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-3-28(4-2)34(31,32)23-15-10-14-22(18-23)27-25(29)19-33-26(30)24-16-9-8-13-21(24)17-20-11-6-5-7-12-20/h5-16,18H,3-4,17,19H2,1-2H3,(H,27,29).
What are the key properties of [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate?
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 480.59 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 3654824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).