CID 146165541

C19H22NO4S — CID 146165541

IUPAC—
SMILESCCOC(=O)[C](CCNc1ccccc1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22NO4S/c1-2-24-19(21)16(13-14-20-17-9-5-3-6-10-17)15-25(22,23)18-11-7-4-8-12-18/h3-12,20H,2,13-15H2,1H3
InChIKeyFTULHHPEJXSGSU-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.10
Rot. Bonds9

About CID 146165541

CID 146165541 (PubChem CID 146165541) has the molecular formula C19H22NO4S and a molecular weight of 360.46 g/mol.

Molecular Properties

Compound NameCID 146165541
PubChem CID146165541
Molecular FormulaC19H22NO4S
Molecular Weight360.46 g/mol
Exact Mass360.13
IUPAC Name—
SMILESCCOC(=O)[C](CCNc1ccccc1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22NO4S/c1-2-24-19(21)16(13-14-20-17-9-5-3-6-10-17)15-25(22,23)18-11-7-4-8-12-18/h3-12,20H,2,13-15H2,1H3
InChIKeyFTULHHPEJXSGSU-UHFFFAOYSA-N
XLogP3.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 146165541?
The IUPAC name of CID 146165541 (CID 146165541) is not available.
What is the SMILES notation for CID 146165541?
The canonical SMILES for CID 146165541 is CCOC(=O)[C](CCNc1ccccc1)CS(=O)(=O)c1ccccc1.
What is the InChIKey of CID 146165541?
The InChIKey is FTULHHPEJXSGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO4S/c1-2-24-19(21)16(13-14-20-17-9-5-3-6-10-17)15-25(22,23)18-11-7-4-8-12-18/h3-12,20H,2,13-15H2,1H3.
What are the key properties of CID 146165541?
CID 146165541 has a molecular weight of 360.46 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146165541 is sourced from PubChem (CID 146165541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).