[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate

C16H22N2O6S — CID 9459175

IUPAC[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate
SMILESCCCNC(=O)CN(C)C(=O)COC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C16H22N2O6S/c1-4-9-17-14(19)10-18(2)15(20)11-24-16(21)12-7-5-6-8-13(12)25(3,22)23/h5-8H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyWHVWNDZISFPTIG-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.23
Rot. Bonds8

About [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate

[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate (PubChem CID 9459175) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate
PubChem CID9459175
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate
SMILESCCCNC(=O)CN(C)C(=O)COC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C16H22N2O6S/c1-4-9-17-14(19)10-18(2)15(20)11-24-16(21)12-7-5-6-8-13(12)25(3,22)23/h5-8H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyWHVWNDZISFPTIG-UHFFFAOYSA-N
XLogP0.23
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] 2-methylsulfonylbenzoate
CID 18080788
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732218
[2-(2-methylpropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18080442
[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724769
[2-oxo-2-(4-propylanilino)ethyl] 2-methylsulfonylbenzoate
CID 18127500
[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725286
2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61115422
methyl 2-[methylsulfonyl-[2-oxo-2-(propylamino)ethyl]amino]benzoate
CID 113155847
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 9458350
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 55402607
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
[2-(3,5-difluoroanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18127503

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate?
The IUPAC name of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate (CID 9459175) is [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate.
What is the SMILES notation for [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate?
The canonical SMILES for [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate is CCCNC(=O)CN(C)C(=O)COC(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate?
The InChIKey is WHVWNDZISFPTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-4-9-17-14(19)10-18(2)15(20)11-24-16(21)12-7-5-6-8-13(12)25(3,22)23/h5-8H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate?
[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate has a molecular weight of 370.43 g/mol, XLogP of 0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate is sourced from PubChem (CID 9459175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).