CID 101490576

C24H25N4O4S — CID 101490576

IUPAC—
SMILESCc1ccc(S(=O)(=O)C(CC2=CN=N[N]2)c2cn(C(=O)OC(C)(C)C)c3ccccc23)cc1
InChIInChI=1S/C24H25N4O4S/c1-16-9-11-18(12-10-16)33(30,31)22(13-17-14-25-27-26-17)20-15-28(23(29)32-24(2,3)4)21-8-6-5-7-19(20)21/h5-12,14-15,22H,13H2,1-4H3
InChIKeyJVJSNLPDGOXSDU-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.46
Rot. Bonds5

About CID 101490576

CID 101490576 (PubChem CID 101490576) has the molecular formula C24H25N4O4S and a molecular weight of 465.56 g/mol.

Molecular Properties

Compound NameCID 101490576
PubChem CID101490576
Molecular FormulaC24H25N4O4S
Molecular Weight465.56 g/mol
Exact Mass465.16
IUPAC Name—
SMILESCc1ccc(S(=O)(=O)C(CC2=CN=N[N]2)c2cn(C(=O)OC(C)(C)C)c3ccccc23)cc1
InChIInChI=1S/C24H25N4O4S/c1-16-9-11-18(12-10-16)33(30,31)22(13-17-14-25-27-26-17)20-15-28(23(29)32-24(2,3)4)21-8-6-5-7-19(20)21/h5-12,14-15,22H,13H2,1-4H3
InChIKeyJVJSNLPDGOXSDU-UHFFFAOYSA-N
XLogP5.46
TPSA104.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 101490576?
The IUPAC name of CID 101490576 (CID 101490576) is not available.
What is the SMILES notation for CID 101490576?
The canonical SMILES for CID 101490576 is Cc1ccc(S(=O)(=O)C(CC2=CN=N[N]2)c2cn(C(=O)OC(C)(C)C)c3ccccc23)cc1.
What is the InChIKey of CID 101490576?
The InChIKey is JVJSNLPDGOXSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N4O4S/c1-16-9-11-18(12-10-16)33(30,31)22(13-17-14-25-27-26-17)20-15-28(23(29)32-24(2,3)4)21-8-6-5-7-19(20)21/h5-12,14-15,22H,13H2,1-4H3.
What are the key properties of CID 101490576?
CID 101490576 has a molecular weight of 465.56 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101490576 is sourced from PubChem (CID 101490576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).