CID 58092890

C21H25N3O3S — CID 58092890

IUPAC—
SMILES[CH]n1c(=O)c2c(OC)c(C(=O)N(C)CCN(CC)CC)sc2c2ccccc21
InChIInChI=1S/C21H25N3O3S/c1-6-24(7-2)13-12-22(3)21(26)19-17(27-5)16-18(28-19)14-10-8-9-11-15(14)23(4)20(16)25/h4,8-11H,6-7,12-13H2,1-3,5H3
InChIKeyDEFPZUBWVTUTPZ-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.16
Rot. Bonds7

About CID 58092890

CID 58092890 (PubChem CID 58092890) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol.

Molecular Properties

Compound NameCID 58092890
PubChem CID58092890
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name—
SMILES[CH]n1c(=O)c2c(OC)c(C(=O)N(C)CCN(CC)CC)sc2c2ccccc21
InChIInChI=1S/C21H25N3O3S/c1-6-24(7-2)13-12-22(3)21(26)19-17(27-5)16-18(28-19)14-10-8-9-11-15(14)23(4)20(16)25/h4,8-11H,6-7,12-13H2,1-3,5H3
InChIKeyDEFPZUBWVTUTPZ-UHFFFAOYSA-N
XLogP3.16
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze CID 58092890 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58092890?
The IUPAC name of CID 58092890 (CID 58092890) is not available.
What is the SMILES notation for CID 58092890?
The canonical SMILES for CID 58092890 is [CH]n1c(=O)c2c(OC)c(C(=O)N(C)CCN(CC)CC)sc2c2ccccc21.
What is the InChIKey of CID 58092890?
The InChIKey is DEFPZUBWVTUTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-6-24(7-2)13-12-22(3)21(26)19-17(27-5)16-18(28-19)14-10-8-9-11-15(14)23(4)20(16)25/h4,8-11H,6-7,12-13H2,1-3,5H3.
What are the key properties of CID 58092890?
CID 58092890 has a molecular weight of 399.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58092890 is sourced from PubChem (CID 58092890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).