[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

C18H20N2O6S — CID 7371020

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(N)=O)cc1
InChIInChI=1S/C18H20N2O6S/c1-3-25-13-8-10-14(11-9-13)27(23,24)20-16-7-5-4-6-15(16)18(22)26-12(2)17(19)21/h4-12,20H,3H2,1-2H3,(H2,19,21)/t12-/m1/s1
InChIKeyRKPVKKGJOOBGPF-GFCCVEGCSA-N
MW392.43 g/mol
LogP1.92
Rot. Bonds8

About [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (PubChem CID 7371020) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
PubChem CID7371020
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(N)=O)cc1
InChIInChI=1S/C18H20N2O6S/c1-3-25-13-8-10-14(11-9-13)27(23,24)20-16-7-5-4-6-15(16)18(22)26-12(2)17(19)21/h4-12,20H,3H2,1-2H3,(H2,19,21)/t12-/m1/s1
InChIKeyRKPVKKGJOOBGPF-GFCCVEGCSA-N
XLogP1.92
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate with MolForge

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Related Compounds

[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 7744842
(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42900642
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7951667
2-[(6-ethoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824630
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 43033031
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16527095
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 7744895
methyl 2-[(4-hexadecoxyphenyl)sulfonylamino]benzoate
CID 15002142
1-[[2-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-ethylthiourea
CID 2347505

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (CID 7371020) is [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(N)=O)cc1.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The InChIKey is RKPVKKGJOOBGPF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-3-25-13-8-10-14(11-9-13)27(23,24)20-16-7-5-4-6-15(16)18(22)26-12(2)17(19)21/h4-12,20H,3H2,1-2H3,(H2,19,21)/t12-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate has a molecular weight of 392.43 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 7371020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).