ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate

C19H23NO4S — CID 102487727

IUPACethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate
SMILESCCOC(=O)CCCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-3-24-19(21)6-4-5-16-9-11-17(12-10-16)20-25(22,23)18-13-7-15(2)8-14-18/h7-14,20H,3-6H2,1-2H3
InChIKeyRYROCWYGAOROJR-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.68
Rot. Bonds8

About ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate

ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate (PubChem CID 102487727) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate
PubChem CID102487727
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Nameethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate
SMILESCCOC(=O)CCCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-3-24-19(21)6-4-5-16-9-11-17(12-10-16)20-25(22,23)18-13-7-15(2)8-14-18/h7-14,20H,3-6H2,1-2H3
InChIKeyRYROCWYGAOROJR-UHFFFAOYSA-N
XLogP3.68
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-methylphenyl)butanoate
CID 10013221
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate
CID 2416586
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-propan-2-ylpropanamide
CID 126356786
ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
4-[3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanoylamino]benzamide
CID 126368002
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3943831

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate?
The IUPAC name of ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate (CID 102487727) is ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate.
What is the SMILES notation for ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate?
The canonical SMILES for ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate is CCOC(=O)CCCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate?
The InChIKey is RYROCWYGAOROJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-3-24-19(21)6-4-5-16-9-11-17(12-10-16)20-25(22,23)18-13-7-15(2)8-14-18/h7-14,20H,3-6H2,1-2H3.
What are the key properties of ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate?
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate has a molecular weight of 361.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate is sourced from PubChem (CID 102487727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).