2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid

C24H26N2O5S — CID 67704199

IUPAC2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
SMILESCS(=O)(=O)NC1CCC(C(C(=O)O)c2ccc(OCc3ccc4ccccc4n3)cc2)C1
InChIInChI=1S/C24H26N2O5S/c1-32(29,30)26-19-10-7-18(14-19)23(24(27)28)17-8-12-21(13-9-17)31-15-20-11-6-16-4-2-3-5-22(16)25-20/h2-6,8-9,11-13,18-19,23,26H,7,10,14-15H2,1H3,(H,27,28)
InChIKeyVEAJKDOKPJFEOH-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.70
Rot. Bonds8

About 2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid

2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid (PubChem CID 67704199) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
PubChem CID67704199
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
SMILESCS(=O)(=O)NC1CCC(C(C(=O)O)c2ccc(OCc3ccc4ccccc4n3)cc2)C1
InChIInChI=1S/C24H26N2O5S/c1-32(29,30)26-19-10-7-18(14-19)23(24(27)28)17-8-12-21(13-9-17)31-15-20-11-6-16-4-2-3-5-22(16)25-20/h2-6,8-9,11-13,18-19,23,26H,7,10,14-15H2,1H3,(H,27,28)
InChIKeyVEAJKDOKPJFEOH-UHFFFAOYSA-N
XLogP3.70
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid (CID 67704199) is 2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid is CS(=O)(=O)NC1CCC(C(C(=O)O)c2ccc(OCc3ccc4ccccc4n3)cc2)C1.
What is the InChIKey of 2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid?
The InChIKey is VEAJKDOKPJFEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-32(29,30)26-19-10-7-18(14-19)23(24(27)28)17-8-12-21(13-9-17)31-15-20-11-6-16-4-2-3-5-22(16)25-20/h2-6,8-9,11-13,18-19,23,26H,7,10,14-15H2,1H3,(H,27,28).
What are the key properties of 2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid?
2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid has a molecular weight of 454.55 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid is sourced from PubChem (CID 67704199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).