ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate

C23H29NO7S — CID 10718923

IUPACethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate
SMILESCCOC(=O)CCCN(c1cc(OC)ccc1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H29NO7S/c1-5-30-22(25)8-7-15-24(32(27,28)19-12-9-17(3)10-13-19)21-16-18(29-4)11-14-20(21)23(26)31-6-2/h9-14,16H,5-8,15H2,1-4H3
InChIKeyXDBQYUPBYQTFIC-UHFFFAOYSA-N
MW463.55 g/mol
LogP3.72
Rot. Bonds11

About ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate

ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate (PubChem CID 10718923) has the molecular formula C23H29NO7S and a molecular weight of 463.55 g/mol. Its IUPAC name is ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate.

Molecular Properties

Compound Nameethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate
PubChem CID10718923
Molecular FormulaC23H29NO7S
Molecular Weight463.55 g/mol
Exact Mass463.17
IUPAC Nameethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate
SMILESCCOC(=O)CCCN(c1cc(OC)ccc1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H29NO7S/c1-5-30-22(25)8-7-15-24(32(27,28)19-12-9-17(3)10-13-19)21-16-18(29-4)11-14-20(21)23(26)31-6-2/h9-14,16H,5-8,15H2,1-4H3
InChIKeyXDBQYUPBYQTFIC-UHFFFAOYSA-N
XLogP3.72
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid
CID 50895111
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1203964
methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 5244310
ethyl (E)-2-[(4-methoxy-N-(4-methylphenyl)sulfonylanilino)methyl]but-2-enoate
CID 53381876
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
methyl 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoate
CID 60712386
4-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)butanoic acid
CID 50891803
ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531956
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
CID 24727597
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
2-[[2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 132695169

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate?
The IUPAC name of ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate (CID 10718923) is ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate.
What is the SMILES notation for ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate?
The canonical SMILES for ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate is CCOC(=O)CCCN(c1cc(OC)ccc1C(=O)OCC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate?
The InChIKey is XDBQYUPBYQTFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO7S/c1-5-30-22(25)8-7-15-24(32(27,28)19-12-9-17(3)10-13-19)21-16-18(29-4)11-14-20(21)23(26)31-6-2/h9-14,16H,5-8,15H2,1-4H3.
What are the key properties of ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate?
ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate has a molecular weight of 463.55 g/mol, XLogP of 3.72, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate is sourced from PubChem (CID 10718923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).