[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate

C15H21N3O6S — CID 46646668

IUPAC[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate
SMILESCC(C)NC(=O)NC(=O)C(C)OC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C15H21N3O6S/c1-9(2)16-15(21)17-13(19)10(3)24-14(20)11-7-5-6-8-12(11)18-25(4,22)23/h5-10,18H,1-4H3,(H2,16,17,19,21)
InChIKeyMYHWIIODIDYUFO-UHFFFAOYSA-N
MW371.42 g/mol
LogP0.84
Rot. Bonds6

About [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate (PubChem CID 46646668) has the molecular formula C15H21N3O6S and a molecular weight of 371.42 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate
PubChem CID46646668
Molecular FormulaC15H21N3O6S
Molecular Weight371.42 g/mol
Exact Mass371.12
IUPAC Name[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate
SMILESCC(C)NC(=O)NC(=O)C(C)OC(=O)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C15H21N3O6S/c1-9(2)16-15(21)17-13(19)10(3)24-14(20)11-7-5-6-8-12(11)18-25(4,22)23/h5-10,18H,1-4H3,(H2,16,17,19,21)
InChIKeyMYHWIIODIDYUFO-UHFFFAOYSA-N
XLogP0.84
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate with MolForge

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Related Compounds

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 24588007
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfonylbenzoate
CID 9307981
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(methanesulfonamido)benzoate
CID 16519183
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8959482
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540587
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(methanesulfonamido)benzoate
CID 7740648
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate
CID 7740719
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8959481
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 26732079
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfinylbenzoate
CID 55423388
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 7602760
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate
CID 41432182

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate?
The IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate (CID 46646668) is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate.
What is the SMILES notation for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate?
The canonical SMILES for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate is CC(C)NC(=O)NC(=O)C(C)OC(=O)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate?
The InChIKey is MYHWIIODIDYUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O6S/c1-9(2)16-15(21)17-13(19)10(3)24-14(20)11-7-5-6-8-12(11)18-25(4,22)23/h5-10,18H,1-4H3,(H2,16,17,19,21).
What are the key properties of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate?
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate has a molecular weight of 371.42 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 46646668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).