[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate

C23H30N2O5S — CID 35379939

IUPAC[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
SMILESCCc1ccccc1NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C23H30N2O5S/c1-4-19-9-7-8-10-21(19)24-22(26)17-30-23(27)16-13-18-11-14-20(15-12-18)31(28,29)25(5-2)6-3/h7-12,14-15H,4-6,13,16-17H2,1-3H3,(H,24,26)
InChIKeyYAGGGYNEFQFRAC-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.39
Rot. Bonds11

About [2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate

[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate (PubChem CID 35379939) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is [2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate.

Molecular Properties

Compound Name[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
PubChem CID35379939
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
SMILESCCc1ccccc1NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C23H30N2O5S/c1-4-19-9-7-8-10-21(19)24-22(26)17-30-23(27)16-13-18-11-14-20(15-12-18)31(28,29)25(5-2)6-3/h7-12,14-15H,4-6,13,16-17H2,1-3H3,(H,24,26)
InChIKeyYAGGGYNEFQFRAC-UHFFFAOYSA-N
XLogP3.39
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35380229
methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate
CID 36709924
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609829
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
CID 8626175
[2-(2-ethylanilino)-2-oxoethyl] 5-(2-ethylanilino)-5-oxopentanoate
CID 9067652
[2-(2-ethylanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448392
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557649
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8626147
[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557633
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579246
[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557443
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The IUPAC name of [2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate (CID 35379939) is [2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate.
What is the SMILES notation for [2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The canonical SMILES for [2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate is CCc1ccccc1NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of [2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
The InChIKey is YAGGGYNEFQFRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-4-19-9-7-8-10-21(19)24-22(26)17-30-23(27)16-13-18-11-14-20(15-12-18)31(28,29)25(5-2)6-3/h7-12,14-15H,4-6,13,16-17H2,1-3H3,(H,24,26).
What are the key properties of [2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate?
[2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate has a molecular weight of 446.57 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate is sourced from PubChem (CID 35379939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).