CID 58197565

C24H34N2O2S — CID 58197565

IUPAC—
SMILESCCCCc1ccc2c(c1)C1(NC(=S)N(C(C)C)C1=O)C1(CCC(OC)CC1)C2
InChIInChI=1S/C24H34N2O2S/c1-5-6-7-17-8-9-18-15-23(12-10-19(28-4)11-13-23)24(20(18)14-17)21(27)26(16(2)3)22(29)25-24/h8-9,14,16,19H,5-7,10-13,15H2,1-4H3,(H,25,29)
InChIKeyXGTGUCHVSLELOQ-UHFFFAOYSA-N
MW414.62 g/mol
LogP4.48
Rot. Bonds5

About CID 58197565

CID 58197565 (PubChem CID 58197565) has the molecular formula C24H34N2O2S and a molecular weight of 414.62 g/mol.

Molecular Properties

Compound NameCID 58197565
PubChem CID58197565
Molecular FormulaC24H34N2O2S
Molecular Weight414.62 g/mol
Exact Mass414.23
IUPAC Name—
SMILESCCCCc1ccc2c(c1)C1(NC(=S)N(C(C)C)C1=O)C1(CCC(OC)CC1)C2
InChIInChI=1S/C24H34N2O2S/c1-5-6-7-17-8-9-18-15-23(12-10-19(28-4)11-13-23)24(20(18)14-17)21(27)26(16(2)3)22(29)25-24/h8-9,14,16,19H,5-7,10-13,15H2,1-4H3,(H,25,29)
InChIKeyXGTGUCHVSLELOQ-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58197565?
The IUPAC name of CID 58197565 (CID 58197565) is not available.
What is the SMILES notation for CID 58197565?
The canonical SMILES for CID 58197565 is CCCCc1ccc2c(c1)C1(NC(=S)N(C(C)C)C1=O)C1(CCC(OC)CC1)C2.
What is the InChIKey of CID 58197565?
The InChIKey is XGTGUCHVSLELOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2S/c1-5-6-7-17-8-9-18-15-23(12-10-19(28-4)11-13-23)24(20(18)14-17)21(27)26(16(2)3)22(29)25-24/h8-9,14,16,19H,5-7,10-13,15H2,1-4H3,(H,25,29).
What are the key properties of CID 58197565?
CID 58197565 has a molecular weight of 414.62 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197565 is sourced from PubChem (CID 58197565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).