CID 134809922

C23H23N3O4S — CID 134809922

IUPAC—
SMILESCNC(=O)c1cc(-c2ccc([S+](C)(=O)[O-])cc2)cc2c1OCCN2Cc1cccnc1
InChIInChI=1S/C23H23N3O4S/c1-24-23(27)20-12-18(17-5-7-19(8-6-17)31(2,28)29)13-21-22(20)30-11-10-26(21)15-16-4-3-9-25-14-16/h3-9,12-14H,10-11,15H2,1-2H3,(H-,24,27,28,29)
InChIKeyQIMPQFQROYSPOE-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.13
Rot. Bonds5

About CID 134809922

CID 134809922 (PubChem CID 134809922) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol.

Molecular Properties

Compound NameCID 134809922
PubChem CID134809922
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name—
SMILESCNC(=O)c1cc(-c2ccc([S+](C)(=O)[O-])cc2)cc2c1OCCN2Cc1cccnc1
InChIInChI=1S/C23H23N3O4S/c1-24-23(27)20-12-18(17-5-7-19(8-6-17)31(2,28)29)13-21-22(20)30-11-10-26(21)15-16-4-3-9-25-14-16/h3-9,12-14H,10-11,15H2,1-2H3,(H-,24,27,28,29)
InChIKeyQIMPQFQROYSPOE-UHFFFAOYSA-N
XLogP3.13
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 134809922 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-fluorophenyl)-N,4-bis(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 134806143
6-(4-fluoro-2-methoxyphenyl)-4-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 134805475
N-methyl-4-[3-methyl-4-(oxan-4-yloxy)-2H-indazol-6-yl]-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzamide
CID 118256333
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 47039701
1-[1-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 102662618
(2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610179
naphthalen-1-yl-[7-phenyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]methanone;hydrochloride
CID 131723530
5-benzyl-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
CID 134809976
N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide
CID 124952417
1-(9-hydroxy-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-(methylamino)ethanone
CID 56702888
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide
CID 171704634
N-methyl-2-[5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677523

Frequently Asked Questions

What is the IUPAC name of CID 134809922?
The IUPAC name of CID 134809922 (CID 134809922) is not available.
What is the SMILES notation for CID 134809922?
The canonical SMILES for CID 134809922 is CNC(=O)c1cc(-c2ccc([S+](C)(=O)[O-])cc2)cc2c1OCCN2Cc1cccnc1.
What is the InChIKey of CID 134809922?
The InChIKey is QIMPQFQROYSPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-24-23(27)20-12-18(17-5-7-19(8-6-17)31(2,28)29)13-21-22(20)30-11-10-26(21)15-16-4-3-9-25-14-16/h3-9,12-14H,10-11,15H2,1-2H3,(H-,24,27,28,29).
What are the key properties of CID 134809922?
CID 134809922 has a molecular weight of 437.52 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134809922 is sourced from PubChem (CID 134809922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).