2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate

C24H32N2O5S — CID 4946832

IUPAC2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CCC(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C24H32N2O5S/c1-3-17-26(18-4-2)32(29,30)22-12-10-21(11-13-22)25-23(27)14-15-24(28)31-19-16-20-8-6-5-7-9-20/h5-13H,3-4,14-19H2,1-2H3,(H,25,27)
InChIKeyCTLCIEGKZGCZKK-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.00
Rot. Bonds13

About 2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate

2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate (PubChem CID 4946832) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate.

Molecular Properties

Compound Name2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate
PubChem CID4946832
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CCC(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C24H32N2O5S/c1-3-17-26(18-4-2)32(29,30)22-12-10-21(11-13-22)25-23(27)14-15-24(28)31-19-16-20-8-6-5-7-9-20/h5-13H,3-4,14-19H2,1-2H3,(H,25,27)
InChIKeyCTLCIEGKZGCZKK-UHFFFAOYSA-N
XLogP4.00
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenylpropyl 4-[4-[benzyl(methyl)sulfamoyl]anilino]-4-oxobutanoate
CID 4934226
2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide
CID 4091251
2-phenylethyl 4-[4-[(4-methoxyphenyl)sulfamoyl]anilino]-4-oxobutanoate
CID 4946640
2-phenylethyl 4-(4-hexoxyanilino)-4-oxobutanoate
CID 4939403
2-phenylethyl 4-(4-nitroanilino)-4-oxobutanoate
CID 4946747
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
2-phenylethyl 4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobutanoate
CID 54782879
2-phenylethyl 4-oxo-4-[(4-sulfamoylphenyl)carbamothioylamino]butanoate
CID 4947177
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109445
3-phenylpropyl 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate
CID 4934609
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8626147
3-phenylpropyl 4-(4-methoxyanilino)-4-oxobutanoate
CID 4934277

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate?
The IUPAC name of 2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate (CID 4946832) is 2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate.
What is the SMILES notation for 2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate?
The canonical SMILES for 2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CCC(=O)OCCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate?
The InChIKey is CTLCIEGKZGCZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-3-17-26(18-4-2)32(29,30)22-12-10-21(11-13-22)25-23(27)14-15-24(28)31-19-16-20-8-6-5-7-9-20/h5-13H,3-4,14-19H2,1-2H3,(H,25,27).
What are the key properties of 2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate?
2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate has a molecular weight of 460.60 g/mol, XLogP of 4.00, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 4-[4-(dipropylsulfamoyl)anilino]-4-oxobutanoate is sourced from PubChem (CID 4946832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).