CID 71771067

C24H24N4O4S — CID 71771067

IUPAC—
SMILESCCc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1[S+](=O)([O-])Nc1ccccc1C#N
InChIInChI=1S/C24H24N4O4S/c1-5-17-10-11-19(27-24(30)23-14(2)22(16(4)29)15(3)26-23)12-21(17)33(31,32)28-20-9-7-6-8-18(20)13-25/h6-12H,5H2,1-4H3,(H3-,26,27,28,29,30,31,32)
InChIKeyYOXLJQSIWQLZDK-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.54
Rot. Bonds7

About CID 71771067

CID 71771067 (PubChem CID 71771067) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol.

Molecular Properties

Compound NameCID 71771067
PubChem CID71771067
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name—
SMILESCCc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1[S+](=O)([O-])Nc1ccccc1C#N
InChIInChI=1S/C24H24N4O4S/c1-5-17-10-11-19(27-24(30)23-14(2)22(16(4)29)15(3)26-23)12-21(17)33(31,32)28-20-9-7-6-8-18(20)13-25/h6-12H,5H2,1-4H3,(H3-,26,27,28,29,30,31,32)
InChIKeyYOXLJQSIWQLZDK-UHFFFAOYSA-N
XLogP4.54
TPSA137.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 71771067?
The IUPAC name of CID 71771067 (CID 71771067) is not available.
What is the SMILES notation for CID 71771067?
The canonical SMILES for CID 71771067 is CCc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1[S+](=O)([O-])Nc1ccccc1C#N.
What is the InChIKey of CID 71771067?
The InChIKey is YOXLJQSIWQLZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-5-17-10-11-19(27-24(30)23-14(2)22(16(4)29)15(3)26-23)12-21(17)33(31,32)28-20-9-7-6-8-18(20)13-25/h6-12H,5H2,1-4H3,(H3-,26,27,28,29,30,31,32).
What are the key properties of CID 71771067?
CID 71771067 has a molecular weight of 464.55 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71771067 is sourced from PubChem (CID 71771067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).