CID 162598113

C24H23F2N2O4S+ — CID 162598113

IUPAC—
SMILESCC[S+](=O)(O)c1ccc(CC(=O)Nc2ccc(C(F)(F)C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22F2N2O4S/c1-2-33(31,32)21-14-8-17(9-15-21)16-22(29)27-20-12-10-18(11-13-20)24(25,26)23(30)28-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3,(H2-,27,28,29,30,31,32)/p+1
InChIKeyZQJOYLCITAPPSK-UHFFFAOYSA-O
MW473.52 g/mol
LogP4.95
Rot. Bonds8

About CID 162598113

CID 162598113 (PubChem CID 162598113) has the molecular formula C24H23F2N2O4S+ and a molecular weight of 473.52 g/mol.

Molecular Properties

Compound NameCID 162598113
PubChem CID162598113
Molecular FormulaC24H23F2N2O4S+
Molecular Weight473.52 g/mol
Exact Mass473.13
IUPAC Name—
SMILESCC[S+](=O)(O)c1ccc(CC(=O)Nc2ccc(C(F)(F)C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22F2N2O4S/c1-2-33(31,32)21-14-8-17(9-15-21)16-22(29)27-20-12-10-18(11-13-20)24(25,26)23(30)28-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3,(H2-,27,28,29,30,31,32)/p+1
InChIKeyZQJOYLCITAPPSK-UHFFFAOYSA-O
XLogP4.95
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-ethylphenyl)-2-phenylacetamide
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N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
N-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23579193
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
2-methyl-2-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]propanoic acid
CID 119253975
N-[4-(tert-butylamino)phenyl]-2-phenylacetamide
CID 112984887
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423

Frequently Asked Questions

What is the IUPAC name of CID 162598113?
The IUPAC name of CID 162598113 (CID 162598113) is not available.
What is the SMILES notation for CID 162598113?
The canonical SMILES for CID 162598113 is CC[S+](=O)(O)c1ccc(CC(=O)Nc2ccc(C(F)(F)C(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of CID 162598113?
The InChIKey is ZQJOYLCITAPPSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H22F2N2O4S/c1-2-33(31,32)21-14-8-17(9-15-21)16-22(29)27-20-12-10-18(11-13-20)24(25,26)23(30)28-19-6-4-3-5-7-19/h3-15H,2,16H2,1H3,(H2-,27,28,29,30,31,32)/p+1.
What are the key properties of CID 162598113?
CID 162598113 has a molecular weight of 473.52 g/mol, XLogP of 4.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162598113 is sourced from PubChem (CID 162598113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).