(2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid

C23H20N2O7S — CID 24755471

IUPAC(2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid
SMILESN#Cc1ccc(COc2ccc3cc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)ccc3c2)cc1
InChIInChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-18-12-20(8-6-17(18)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1
InChIKeyPUHRQSFXADUGJW-OAQYLSRUSA-N
MW468.49 g/mol
LogP2.89
Rot. Bonds10

About (2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid

(2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid (PubChem CID 24755471) has the molecular formula C23H20N2O7S and a molecular weight of 468.49 g/mol. Its IUPAC name is (2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid
PubChem CID24755471
Molecular FormulaC23H20N2O7S
Molecular Weight468.49 g/mol
Exact Mass468.10
IUPAC Name(2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid
SMILESN#Cc1ccc(COc2ccc3cc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)ccc3c2)cc1
InChIInChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-18-12-20(8-6-17(18)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1
InChIKeyPUHRQSFXADUGJW-OAQYLSRUSA-N
XLogP2.89
TPSA153.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid?
The IUPAC name of (2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid (CID 24755471) is (2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid?
The canonical SMILES for (2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid is N#Cc1ccc(COc2ccc3cc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)ccc3c2)cc1.
What is the InChIKey of (2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid?
The InChIKey is PUHRQSFXADUGJW-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-18-12-20(8-6-17(18)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1.
What are the key properties of (2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid?
(2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid has a molecular weight of 468.49 g/mol, XLogP of 2.89, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[(4-cyanophenyl)methoxy]naphthalen-2-yl]sulfonylamino]pentanedioic acid is sourced from PubChem (CID 24755471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).