(2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid

C17H19NO5S — CID 10760229

IUPAC(2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H19NO5S/c1-12(2)16(17(19)20)18-24(21,22)15-10-8-14(9-11-15)23-13-6-4-3-5-7-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyUXRZVXKHVDNOPK-MRXNPFEDSA-N
MW349.41 g/mol
LogP2.87
Rot. Bonds7

About (2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid

(2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid (PubChem CID 10760229) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid
PubChem CID10760229
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name(2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H19NO5S/c1-12(2)16(17(19)20)18-24(21,22)15-10-8-14(9-11-15)23-13-6-4-3-5-7-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyUXRZVXKHVDNOPK-MRXNPFEDSA-N
XLogP2.87
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid (CID 10760229) is (2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid is CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid?
The InChIKey is UXRZVXKHVDNOPK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12(2)16(17(19)20)18-24(21,22)15-10-8-14(9-11-15)23-13-6-4-3-5-7-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid?
(2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid has a molecular weight of 349.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(4-phenoxyphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 10760229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).