CID 134787067

C20H24N2O4S — CID 134787067

IUPAC—
SMILESCc1ccc([S+](=O)([O-])N2CC(=O)N(CCc3ccccc3)CC(O)C2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-7-9-19(10-8-16)27(25,26)22-14-18(23)13-21(20(24)15-22)12-11-17-5-3-2-4-6-17/h2-10,18,23H,11-15H2,1H3
InChIKeyHBIWAZABJBHDJZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.65
Rot. Bonds5

About CID 134787067

CID 134787067 (PubChem CID 134787067) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol.

Molecular Properties

Compound NameCID 134787067
PubChem CID134787067
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name—
SMILESCc1ccc([S+](=O)([O-])N2CC(=O)N(CCc3ccccc3)CC(O)C2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-7-9-19(10-8-16)27(25,26)22-14-18(23)13-21(20(24)15-22)12-11-17-5-3-2-4-6-17/h2-10,18,23H,11-15H2,1H3
InChIKeyHBIWAZABJBHDJZ-UHFFFAOYSA-N
XLogP1.65
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of CID 134787067?
The IUPAC name of CID 134787067 (CID 134787067) is not available.
What is the SMILES notation for CID 134787067?
The canonical SMILES for CID 134787067 is Cc1ccc([S+](=O)([O-])N2CC(=O)N(CCc3ccccc3)CC(O)C2)cc1.
What is the InChIKey of CID 134787067?
The InChIKey is HBIWAZABJBHDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-7-9-19(10-8-16)27(25,26)22-14-18(23)13-21(20(24)15-22)12-11-17-5-3-2-4-6-17/h2-10,18,23H,11-15H2,1H3.
What are the key properties of CID 134787067?
CID 134787067 has a molecular weight of 388.49 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134787067 is sourced from PubChem (CID 134787067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).