CID 155225059

C20H29N5NaO4S — CID 155225059

IUPAC—
SMILESCCc1cc(CC)cc(NC(=O)NS(=O)(=O)N(c2cnn(C)c2)C2CCOCC2)c1.[Na]
InChIInChI=1S/C20H29N5O4S.Na/c1-4-15-10-16(5-2)12-17(11-15)22-20(26)23-30(27,28)25(18-6-8-29-9-7-18)19-13-21-24(3)14-19;/h10-14,18H,4-9H2,1-3H3,(H2,22,23,26);
InChIKeyQYANKJDPRIUMAD-UHFFFAOYSA-N
MW458.54 g/mol
LogP2.22
Rot. Bonds7

About CID 155225059

CID 155225059 (PubChem CID 155225059) has the molecular formula C20H29N5NaO4S and a molecular weight of 458.54 g/mol.

Molecular Properties

Compound NameCID 155225059
PubChem CID155225059
Molecular FormulaC20H29N5NaO4S
Molecular Weight458.54 g/mol
Exact Mass458.18
IUPAC Name—
SMILESCCc1cc(CC)cc(NC(=O)NS(=O)(=O)N(c2cnn(C)c2)C2CCOCC2)c1.[Na]
InChIInChI=1S/C20H29N5O4S.Na/c1-4-15-10-16(5-2)12-17(11-15)22-20(26)23-30(27,28)25(18-6-8-29-9-7-18)19-13-21-24(3)14-19;/h10-14,18H,4-9H2,1-3H3,(H2,22,23,26);
InChIKeyQYANKJDPRIUMAD-UHFFFAOYSA-N
XLogP2.22
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 155225059?
The IUPAC name of CID 155225059 (CID 155225059) is not available.
What is the SMILES notation for CID 155225059?
The canonical SMILES for CID 155225059 is CCc1cc(CC)cc(NC(=O)NS(=O)(=O)N(c2cnn(C)c2)C2CCOCC2)c1.[Na].
What is the InChIKey of CID 155225059?
The InChIKey is QYANKJDPRIUMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4S.Na/c1-4-15-10-16(5-2)12-17(11-15)22-20(26)23-30(27,28)25(18-6-8-29-9-7-18)19-13-21-24(3)14-19;/h10-14,18H,4-9H2,1-3H3,(H2,22,23,26);.
What are the key properties of CID 155225059?
CID 155225059 has a molecular weight of 458.54 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155225059 is sourced from PubChem (CID 155225059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).