[2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

C16H24N2O5S — CID 7828802

IUPAC[2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
SMILESCNC(=O)COC(=O)CCNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H24N2O5S/c1-10-8-11(2)13(4)16(12(10)3)24(21,22)18-7-6-15(20)23-9-14(19)17-5/h8,18H,6-7,9H2,1-5H3,(H,17,19)
InChIKeyDQPVERWMVOUXCR-UHFFFAOYSA-N
MW356.44 g/mol
LogP0.88
Rot. Bonds7

About [2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

[2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate (PubChem CID 7828802) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
PubChem CID7828802
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name[2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
SMILESCNC(=O)COC(=O)CCNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H24N2O5S/c1-10-8-11(2)13(4)16(12(10)3)24(21,22)18-7-6-15(20)23-9-14(19)17-5/h8,18H,6-7,9H2,1-5H3,(H,17,19)
InChIKeyDQPVERWMVOUXCR-UHFFFAOYSA-N
XLogP0.88
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 78846405
[(2S)-1-amino-1-oxopropan-2-yl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7828808
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate
CID 55467634
(4-nitrophenyl)methyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CID 7828815
2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659681
4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
CID 2437240
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate
CID 55356370
4-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441797
3-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 103171406
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 7978287
phenacyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 7978357
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 7978309

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate (CID 7828802) is [2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate is CNC(=O)COC(=O)CCNS(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
The InChIKey is DQPVERWMVOUXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-10-8-11(2)13(4)16(12(10)3)24(21,22)18-7-6-15(20)23-9-14(19)17-5/h8,18H,6-7,9H2,1-5H3,(H,17,19).
What are the key properties of [2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate?
[2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate has a molecular weight of 356.44 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7828802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).