5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid

C17H18N2O5S — CID 23381694

IUPAC5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
SMILESNC(=O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H18N2O5S/c18-16(20)11-10-15(17(21)22)19-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H2,18,20)(H,21,22)
InChIKeyBTMLCSYAKDMZTR-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.35
Rot. Bonds8

About 5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid

5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid (PubChem CID 23381694) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
PubChem CID23381694
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
SMILESNC(=O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H18N2O5S/c18-16(20)11-10-15(17(21)22)19-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H2,18,20)(H,21,22)
InChIKeyBTMLCSYAKDMZTR-UHFFFAOYSA-N
XLogP1.35
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid (CID 23381694) is 5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid is NC(=O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is BTMLCSYAKDMZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c18-16(20)11-10-15(17(21)22)19-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H2,18,20)(H,21,22).
What are the key properties of 5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 362.41 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 23381694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).