CID 58197243

C27H38N2O3S — CID 58197243

IUPAC—
SMILESCCCSC1=NC2(C(=O)N1CCC)c1cc(OCC3CC3)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C27H38N2O3S/c1-4-14-29-24(30)27(28-25(29)33-15-5-2)23-16-22(32-18-19-6-7-19)9-8-20(23)17-26(27)12-10-21(31-3)11-13-26/h8-9,16,19,21H,4-7,10-15,17-18H2,1-3H3
InChIKeyUAGBPLAHYGAVKU-UHFFFAOYSA-N
MW470.68 g/mol
LogP5.55
Rot. Bonds8

About CID 58197243

CID 58197243 (PubChem CID 58197243) has the molecular formula C27H38N2O3S and a molecular weight of 470.68 g/mol.

Molecular Properties

Compound NameCID 58197243
PubChem CID58197243
Molecular FormulaC27H38N2O3S
Molecular Weight470.68 g/mol
Exact Mass470.26
IUPAC Name—
SMILESCCCSC1=NC2(C(=O)N1CCC)c1cc(OCC3CC3)ccc1CC21CCC(OC)CC1
InChIInChI=1S/C27H38N2O3S/c1-4-14-29-24(30)27(28-25(29)33-15-5-2)23-16-22(32-18-19-6-7-19)9-8-20(23)17-26(27)12-10-21(31-3)11-13-26/h8-9,16,19,21H,4-7,10-15,17-18H2,1-3H3
InChIKeyUAGBPLAHYGAVKU-UHFFFAOYSA-N
XLogP5.55
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.68
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 58196979
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Frequently Asked Questions

What is the IUPAC name of CID 58197243?
The IUPAC name of CID 58197243 (CID 58197243) is not available.
What is the SMILES notation for CID 58197243?
The canonical SMILES for CID 58197243 is CCCSC1=NC2(C(=O)N1CCC)c1cc(OCC3CC3)ccc1CC21CCC(OC)CC1.
What is the InChIKey of CID 58197243?
The InChIKey is UAGBPLAHYGAVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O3S/c1-4-14-29-24(30)27(28-25(29)33-15-5-2)23-16-22(32-18-19-6-7-19)9-8-20(23)17-26(27)12-10-21(31-3)11-13-26/h8-9,16,19,21H,4-7,10-15,17-18H2,1-3H3.
What are the key properties of CID 58197243?
CID 58197243 has a molecular weight of 470.68 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197243 is sourced from PubChem (CID 58197243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).