(2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate

C17H17FN2O5S — CID 2999974

IUPAC(2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESNC(=O)COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H17FN2O5S/c18-13-8-4-5-9-15(13)26(23,24)20-14(17(22)25-11-16(19)21)10-12-6-2-1-3-7-12/h1-9,14,20H,10-11H2,(H2,19,21)
InChIKeyDULIKVVQYXZREK-UHFFFAOYSA-N
MW380.40 g/mol
LogP0.74
Rot. Bonds8

About (2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate

(2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 2999974) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID2999974
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name(2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
SMILESNC(=O)COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C17H17FN2O5S/c18-13-8-4-5-9-15(13)26(23,24)20-14(17(22)25-11-16(19)21)10-12-6-2-1-3-7-12/h1-9,14,20H,10-11H2,(H2,19,21)
InChIKeyDULIKVVQYXZREK-UHFFFAOYSA-N
XLogP0.74
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate (CID 2999974) is (2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate is NC(=O)COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of (2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is DULIKVVQYXZREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c18-13-8-4-5-9-15(13)26(23,24)20-14(17(22)25-11-16(19)21)10-12-6-2-1-3-7-12/h1-9,14,20H,10-11H2,(H2,19,21).
What are the key properties of (2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate?
(2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 380.40 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 2999974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).