(2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid

C18H21NO4S — CID 25271580

IUPAC(2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyFBSVJQQVDISETN-QGZVFWFLSA-N
MW347.44 g/mol
LogP3.13
Rot. Bonds7

About (2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid

(2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid (PubChem CID 25271580) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
PubChem CID25271580
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name(2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyFBSVJQQVDISETN-QGZVFWFLSA-N
XLogP3.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid (CID 25271580) is (2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid is CC(C)C[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is FBSVJQQVDISETN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid?
(2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 347.44 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(4-phenylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 25271580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).