2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid

C20H24N2O5S — CID 11811551

IUPAC2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C3CCNCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-27-17-6-2-14(3-7-17)15-4-8-18(9-5-15)28(25,26)22-19(20(23)24)16-10-12-21-13-11-16/h2-9,16,19,21-22H,10-13H2,1H3,(H,23,24)
InChIKeyQPSBVVFMTSFAJY-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.09
Rot. Bonds7

About 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid

2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid (PubChem CID 11811551) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid
PubChem CID11811551
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C3CCNCC3)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-27-17-6-2-14(3-7-17)15-4-8-18(9-5-15)28(25,26)22-19(20(23)24)16-10-12-21-13-11-16/h2-9,16,19,21-22H,10-13H2,1H3,(H,23,24)
InChIKeyQPSBVVFMTSFAJY-UHFFFAOYSA-N
XLogP2.09
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid?
The IUPAC name of 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid (CID 11811551) is 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid is COc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C3CCNCC3)cc2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid?
The InChIKey is QPSBVVFMTSFAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-27-17-6-2-14(3-7-17)15-4-8-18(9-5-15)28(25,26)22-19(20(23)24)16-10-12-21-13-11-16/h2-9,16,19,21-22H,10-13H2,1H3,(H,23,24).
What are the key properties of 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid?
2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid has a molecular weight of 404.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-piperidin-4-ylacetic acid is sourced from PubChem (CID 11811551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).