[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

C19H28N4O7S — CID 55304152

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C19H28N4O7S/c1-4-11-20-19(27)22-16(24)13-30-17(25)12-21-18(26)14-7-9-15(10-8-14)31(28,29)23(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3,(H,21,26)(H2,20,22,24,27)
InChIKeyXZCAHBHSWIKWGY-UHFFFAOYSA-N
MW456.52 g/mol
LogP0.23
Rot. Bonds11

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 55304152) has the molecular formula C19H28N4O7S and a molecular weight of 456.52 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
PubChem CID55304152
Molecular FormulaC19H28N4O7S
Molecular Weight456.52 g/mol
Exact Mass456.17
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C19H28N4O7S/c1-4-11-20-19(27)22-16(24)13-30-17(25)12-21-18(26)14-7-9-15(10-8-14)31(28,29)23(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3,(H,21,26)(H2,20,22,24,27)
InChIKeyXZCAHBHSWIKWGY-UHFFFAOYSA-N
XLogP0.23
TPSA150.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate with MolForge

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Related Compounds

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356749
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 42964227
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905904
[2-(3-acetylanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304230
[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55303991
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848821
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304134
(5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55419195
4-(dipropylsulfamoyl)-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 43948656
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide
CID 5123407
(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 46548136
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304122

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (CID 55304152) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is CCCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is XZCAHBHSWIKWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O7S/c1-4-11-20-19(27)22-16(24)13-30-17(25)12-21-18(26)14-7-9-15(10-8-14)31(28,29)23(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3,(H,21,26)(H2,20,22,24,27).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 456.52 g/mol, XLogP of 0.23, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 55304152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).