CID 134793777

C20H22N2O3S — CID 134793777

IUPAC—
SMILESCc1ccc([S+](=O)([O-])N2CCCCC23Cc2ccccc2NC3=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-8-10-17(11-9-15)26(24,25)22-13-5-4-12-20(22)14-16-6-2-3-7-18(16)21-19(20)23/h2-3,6-11H,4-5,12-14H2,1H3,(H-,21,23,24,25)
InChIKeyPFLYFAPYPIBWPA-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.32
Rot. Bonds2

About CID 134793777

CID 134793777 (PubChem CID 134793777) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol.

Molecular Properties

Compound NameCID 134793777
PubChem CID134793777
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name—
SMILESCc1ccc([S+](=O)([O-])N2CCCCC23Cc2ccccc2NC3=O)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-8-10-17(11-9-15)26(24,25)22-13-5-4-12-20(22)14-16-6-2-3-7-18(16)21-19(20)23/h2-3,6-11H,4-5,12-14H2,1H3,(H-,21,23,24,25)
InChIKeyPFLYFAPYPIBWPA-UHFFFAOYSA-N
XLogP3.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134793777?
The IUPAC name of CID 134793777 (CID 134793777) is not available.
What is the SMILES notation for CID 134793777?
The canonical SMILES for CID 134793777 is Cc1ccc([S+](=O)([O-])N2CCCCC23Cc2ccccc2NC3=O)cc1.
What is the InChIKey of CID 134793777?
The InChIKey is PFLYFAPYPIBWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-8-10-17(11-9-15)26(24,25)22-13-5-4-12-20(22)14-16-6-2-3-7-18(16)21-19(20)23/h2-3,6-11H,4-5,12-14H2,1H3,(H-,21,23,24,25).
What are the key properties of CID 134793777?
CID 134793777 has a molecular weight of 370.47 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134793777 is sourced from PubChem (CID 134793777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).