ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate

C23H24N2O5S — CID 2217901

IUPACethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24N2O5S/c1-3-25(31(28,29)21-14-11-17-7-5-6-8-19(17)15-21)16-22(26)24-20-12-9-18(10-13-20)23(27)30-4-2/h5-15H,3-4,16H2,1-2H3,(H,24,26)
InChIKeyGVVBOCJSGPXMNP-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.67
Rot. Bonds8

About ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate

ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate (PubChem CID 2217901) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate
PubChem CID2217901
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Nameethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H24N2O5S/c1-3-25(31(28,29)21-14-11-17-7-5-6-8-19(17)15-21)16-22(26)24-20-12-9-18(10-13-20)23(27)30-4-2/h5-15H,3-4,16H2,1-2H3,(H,24,26)
InChIKeyGVVBOCJSGPXMNP-UHFFFAOYSA-N
XLogP3.67
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1243481
ethyl 4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 4675849
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2234331
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
CID 9084099
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
ethyl 4-[[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 1333816
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
CID 24678382
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375647
methyl 4-[[2-[ethyl-(4-fluorophenyl)sulfonylamino]acetyl]amino]benzoate
CID 2986721
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
methyl 4-[[2-[(4-bromophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 2242857

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate (CID 2217901) is ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CN(CC)S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate?
The InChIKey is GVVBOCJSGPXMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-3-25(31(28,29)21-14-11-17-7-5-6-8-19(17)15-21)16-22(26)24-20-12-9-18(10-13-20)23(27)30-4-2/h5-15H,3-4,16H2,1-2H3,(H,24,26).
What are the key properties of ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate?
ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate has a molecular weight of 440.52 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 2217901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).