[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

C15H20FN3O6S — CID 7848821

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
SMILESCCCNC(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O6S/c1-3-8-17-15(22)18-13(20)10-25-14(21)9-19(2)26(23,24)12-6-4-11(16)5-7-12/h4-7H,3,8-10H2,1-2H3,(H2,17,18,20,22)
InChIKeyAHFSILZCILQXHP-UHFFFAOYSA-N
MW389.41 g/mol
LogP0.23
Rot. Bonds8

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate (PubChem CID 7848821) has the molecular formula C15H20FN3O6S and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
PubChem CID7848821
Molecular FormulaC15H20FN3O6S
Molecular Weight389.41 g/mol
Exact Mass389.11
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
SMILESCCCNC(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O6S/c1-3-8-17-15(22)18-13(20)10-25-14(21)9-19(2)26(23,24)12-6-4-11(16)5-7-12/h4-7H,3,8-10H2,1-2H3,(H2,17,18,20,22)
InChIKeyAHFSILZCILQXHP-UHFFFAOYSA-N
XLogP0.23
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848697
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate
CID 8553142
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304152
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848709
[2-(4-fluorophenyl)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 3409640
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848694
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 55311833
[2-(3-fluorophenyl)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 8676964
[2-(3-cyanoanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848962
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 3254854
2-[(4-carbamothioylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61452669

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate (CID 7848821) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate is CCCNC(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
The InChIKey is AHFSILZCILQXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O6S/c1-3-8-17-15(22)18-13(20)10-25-14(21)9-19(2)26(23,24)12-6-4-11(16)5-7-12/h4-7H,3,8-10H2,1-2H3,(H2,17,18,20,22).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate has a molecular weight of 389.41 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate is sourced from PubChem (CID 7848821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).