CID 134810124

C24H24FN3O3S — CID 134810124

IUPAC—
SMILESO=C(NCCc1ccccc1)[C@@H]1C[C@@H](c2ccc(F)cc2)N([S+](=O)([O-])c2cccnc2)C1
InChIInChI=1S/C24H24FN3O3S/c25-21-10-8-19(9-11-21)23-15-20(24(29)27-14-12-18-5-2-1-3-6-18)17-28(23)32(30,31)22-7-4-13-26-16-22/h1-11,13,16,20,23H,12,14-15,17H2,(H-,27,29,30,31)/t20-,23+/m1/s1
InChIKeyGDPZMPGWZSTWLX-OFNKIYASSA-N
MW453.54 g/mol
LogP3.55
Rot. Bonds7

About CID 134810124

CID 134810124 (PubChem CID 134810124) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol.

Molecular Properties

Compound NameCID 134810124
PubChem CID134810124
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC Name—
SMILESO=C(NCCc1ccccc1)[C@@H]1C[C@@H](c2ccc(F)cc2)N([S+](=O)([O-])c2cccnc2)C1
InChIInChI=1S/C24H24FN3O3S/c25-21-10-8-19(9-11-21)23-15-20(24(29)27-14-12-18-5-2-1-3-6-18)17-28(23)32(30,31)22-7-4-13-26-16-22/h1-11,13,16,20,23H,12,14-15,17H2,(H-,27,29,30,31)/t20-,23+/m1/s1
InChIKeyGDPZMPGWZSTWLX-OFNKIYASSA-N
XLogP3.55
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 134808798
(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92984791
CID 134810513
CID 134810513
3-amino-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 115161689
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100662667
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 46041651
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46041524
(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 134805383
3-(4-fluorophenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 86263909
(3S,5R)-1-(2-phenylacetyl)-5-(pyridin-3-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 56906230

Frequently Asked Questions

What is the IUPAC name of CID 134810124?
The IUPAC name of CID 134810124 (CID 134810124) is not available.
What is the SMILES notation for CID 134810124?
The canonical SMILES for CID 134810124 is O=C(NCCc1ccccc1)[C@@H]1C[C@@H](c2ccc(F)cc2)N([S+](=O)([O-])c2cccnc2)C1.
What is the InChIKey of CID 134810124?
The InChIKey is GDPZMPGWZSTWLX-OFNKIYASSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c25-21-10-8-19(9-11-21)23-15-20(24(29)27-14-12-18-5-2-1-3-6-18)17-28(23)32(30,31)22-7-4-13-26-16-22/h1-11,13,16,20,23H,12,14-15,17H2,(H-,27,29,30,31)/t20-,23+/m1/s1.
What are the key properties of CID 134810124?
CID 134810124 has a molecular weight of 453.54 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134810124 is sourced from PubChem (CID 134810124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).