(2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid

C22H20N2O5S — CID 10574340

IUPAC(2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C22H20N2O5S/c25-21(17-9-5-2-6-10-17)23-18-11-13-19(14-12-18)30(28,29)24-20(22(26)27)15-16-7-3-1-4-8-16/h1-14,20,24H,15H2,(H,23,25)(H,26,27)/t20-/m1/s1
InChIKeyCFINSGSIDZSUDX-HXUWFJFHSA-N
MW424.48 g/mol
LogP2.91
Rot. Bonds8

About (2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid

(2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid (PubChem CID 10574340) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is (2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid
PubChem CID10574340
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name(2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(Nc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C22H20N2O5S/c25-21(17-9-5-2-6-10-17)23-18-11-13-19(14-12-18)30(28,29)24-20(22(26)27)15-16-7-3-1-4-8-16/h1-14,20,24H,15H2,(H,23,25)(H,26,27)/t20-/m1/s1
InChIKeyCFINSGSIDZSUDX-HXUWFJFHSA-N
XLogP2.91
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid (CID 10574340) is (2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid is O=C(Nc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid?
The InChIKey is CFINSGSIDZSUDX-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N2O5S/c25-21(17-9-5-2-6-10-17)23-18-11-13-19(14-12-18)30(28,29)24-20(22(26)27)15-16-7-3-1-4-8-16/h1-14,20,24H,15H2,(H,23,25)(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid?
(2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid has a molecular weight of 424.48 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-benzamidophenyl)sulfonylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 10574340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).