[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate

C16H24N2O6S — CID 8958378

IUPAC[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H24N2O6S/c1-11(14(19)17-16(2,3)4)24-15(20)12-7-9-13(10-8-12)25(21,22)18(5)23-6/h7-11H,1-6H3,(H,17,19)/t11-/m0/s1
InChIKeyMPEGDXZCIFQXJB-NSHDSACASA-N
MW372.44 g/mol
LogP1.33
Rot. Bonds6

About [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate

[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate (PubChem CID 8958378) has the molecular formula C16H24N2O6S and a molecular weight of 372.44 g/mol. Its IUPAC name is [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
PubChem CID8958378
Molecular FormulaC16H24N2O6S
Molecular Weight372.44 g/mol
Exact Mass372.14
IUPAC Name[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H24N2O6S/c1-11(14(19)17-16(2,3)4)24-15(20)12-7-9-13(10-8-12)25(21,22)18(5)23-6/h7-11H,1-6H3,(H,17,19)/t11-/m0/s1
InChIKeyMPEGDXZCIFQXJB-NSHDSACASA-N
XLogP1.33
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 46624780
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943877
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8944089
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943815
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8944092
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8958400
methyl 4-[methoxy(methyl)sulfamoyl]benzoate
CID 35459995
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943976
1-tert-butyl-3-[[4-[methoxy(methyl)sulfamoyl]benzoyl]amino]thiourea
CID 9425920
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 8949896
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 4157932
4-[[(4-tert-butylbenzoyl)amino]carbamoyl]-N-methoxy-N-methylbenzenesulfonamide
CID 9327451

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate?
The IUPAC name of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate (CID 8958378) is [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate.
What is the SMILES notation for [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate?
The canonical SMILES for [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate is CON(C)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate?
The InChIKey is MPEGDXZCIFQXJB-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N2O6S/c1-11(14(19)17-16(2,3)4)24-15(20)12-7-9-13(10-8-12)25(21,22)18(5)23-6/h7-11H,1-6H3,(H,17,19)/t11-/m0/s1.
What are the key properties of [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate?
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate has a molecular weight of 372.44 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 8958378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).