CID 159072315

C24H24N6O3S — CID 159072315

IUPAC—
SMILESCCn1cc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)c(-c2ccncc2)n1.N=S(=O)=O
InChIInChI=1S/C24H23N5O.HNO2S/c1-3-29-16-22(23(28-29)18-11-13-25-14-12-18)19-5-4-6-21(15-19)27-24(30)26-20-9-7-17(2)8-10-20;1-4(2)3/h4-16H,3H2,1-2H3,(H2,26,27,30);1H
InChIKeyJZUWMDYHSVIMAK-UHFFFAOYSA-N
MW476.56 g/mol
LogP5.21
Rot. Bonds5

About CID 159072315

CID 159072315 (PubChem CID 159072315) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol.

Molecular Properties

Compound NameCID 159072315
PubChem CID159072315
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name—
SMILESCCn1cc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)c(-c2ccncc2)n1.N=S(=O)=O
InChIInChI=1S/C24H23N5O.HNO2S/c1-3-29-16-22(23(28-29)18-11-13-25-14-12-18)19-5-4-6-21(15-19)27-24(30)26-20-9-7-17(2)8-10-20;1-4(2)3/h4-16H,3H2,1-2H3,(H2,26,27,30);1H
InChIKeyJZUWMDYHSVIMAK-UHFFFAOYSA-N
XLogP5.21
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 159072315?
The IUPAC name of CID 159072315 (CID 159072315) is not available.
What is the SMILES notation for CID 159072315?
The canonical SMILES for CID 159072315 is CCn1cc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)c(-c2ccncc2)n1.N=S(=O)=O.
What is the InChIKey of CID 159072315?
The InChIKey is JZUWMDYHSVIMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O.HNO2S/c1-3-29-16-22(23(28-29)18-11-13-25-14-12-18)19-5-4-6-21(15-19)27-24(30)26-20-9-7-17(2)8-10-20;1-4(2)3/h4-16H,3H2,1-2H3,(H2,26,27,30);1H.
What are the key properties of CID 159072315?
CID 159072315 has a molecular weight of 476.56 g/mol, XLogP of 5.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159072315 is sourced from PubChem (CID 159072315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).