CID 143689729

C24H33N2O6S+ — CID 143689729

IUPAC—
SMILESCC(C)OC(=O)N1CCC(COc2ccc(-c3ccc([S+](=O)(O)NCCO)cc3)cc2)CC1
InChIInChI=1S/C24H32N2O6S/c1-18(2)32-24(28)26-14-11-19(12-15-26)17-31-22-7-3-20(4-8-22)21-5-9-23(10-6-21)33(29,30)25-13-16-27/h3-10,18-19,27H,11-17H2,1-2H3,(H-,25,29,30)/p+1
InChIKeyVIAPAFUTYYZIDX-UHFFFAOYSA-O
MW477.60 g/mol
LogP3.82
Rot. Bonds9

About CID 143689729

CID 143689729 (PubChem CID 143689729) has the molecular formula C24H33N2O6S+ and a molecular weight of 477.60 g/mol.

Molecular Properties

Compound NameCID 143689729
PubChem CID143689729
Molecular FormulaC24H33N2O6S+
Molecular Weight477.60 g/mol
Exact Mass477.21
IUPAC Name—
SMILESCC(C)OC(=O)N1CCC(COc2ccc(-c3ccc([S+](=O)(O)NCCO)cc3)cc2)CC1
InChIInChI=1S/C24H32N2O6S/c1-18(2)32-24(28)26-14-11-19(12-15-26)17-31-22-7-3-20(4-8-22)21-5-9-23(10-6-21)33(29,30)25-13-16-27/h3-10,18-19,27H,11-17H2,1-2H3,(H-,25,29,30)/p+1
InChIKeyVIAPAFUTYYZIDX-UHFFFAOYSA-O
XLogP3.82
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

CID 163623911
CID 163623911
propan-2-yl 4-[[4-[4-(butylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate;propan-2-yl 4-[[4-[4-(cyclopropylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate
CID 161310144
propan-2-yl 4-[[6-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 24996555
propan-2-yl 4-[[4-[4-(1,2,4-triazol-4-ylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylate
CID 59177766
propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 24992753
propan-2-yl 4-[[3-methoxy-4-(4-methylsulfanylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 143689806
[2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 59814811
4-[[4-(4-propan-2-ylsulfanylphenyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216994
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148
propan-2-yl 4-[[6-(4-propan-2-ylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 66672619
CID 163539219
CID 163539219
4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150582

Frequently Asked Questions

What is the IUPAC name of CID 143689729?
The IUPAC name of CID 143689729 (CID 143689729) is not available.
What is the SMILES notation for CID 143689729?
The canonical SMILES for CID 143689729 is CC(C)OC(=O)N1CCC(COc2ccc(-c3ccc([S+](=O)(O)NCCO)cc3)cc2)CC1.
What is the InChIKey of CID 143689729?
The InChIKey is VIAPAFUTYYZIDX-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32N2O6S/c1-18(2)32-24(28)26-14-11-19(12-15-26)17-31-22-7-3-20(4-8-22)21-5-9-23(10-6-21)33(29,30)25-13-16-27/h3-10,18-19,27H,11-17H2,1-2H3,(H-,25,29,30)/p+1.
What are the key properties of CID 143689729?
CID 143689729 has a molecular weight of 477.60 g/mol, XLogP of 3.82, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143689729 is sourced from PubChem (CID 143689729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).