CID 134941930

C32H42N2O3S — CID 134941930

IUPAC—
SMILES[CH]S(O)(N[C@H](CC(=O)OCC)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C32H42N2O3S/c1-6-37-31(35)23-29(33-38(5,36)32(2,3)4)30(22-26-16-10-7-11-17-26)34(24-27-18-12-8-13-19-27)25-28-20-14-9-15-21-28/h5,7-21,29-30,33,36H,6,22-25H2,1-4H3/t29-,30+/m1/s1
InChIKeyGNCOHQVPKQIFGJ-IHLOFXLRSA-N
MW534.77 g/mol
LogP6.87
Rot. Bonds13

About CID 134941930

CID 134941930 (PubChem CID 134941930) has the molecular formula C32H42N2O3S and a molecular weight of 534.77 g/mol.

Molecular Properties

Compound NameCID 134941930
PubChem CID134941930
Molecular FormulaC32H42N2O3S
Molecular Weight534.77 g/mol
Exact Mass534.29
IUPAC Name—
SMILES[CH]S(O)(N[C@H](CC(=O)OCC)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C32H42N2O3S/c1-6-37-31(35)23-29(33-38(5,36)32(2,3)4)30(22-26-16-10-7-11-17-26)34(24-27-18-12-8-13-19-27)25-28-20-14-9-15-21-28/h5,7-21,29-30,33,36H,6,22-25H2,1-4H3/t29-,30+/m1/s1
InChIKeyGNCOHQVPKQIFGJ-IHLOFXLRSA-N
XLogP6.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.77
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 134941930?
The IUPAC name of CID 134941930 (CID 134941930) is not available.
What is the SMILES notation for CID 134941930?
The canonical SMILES for CID 134941930 is [CH]S(O)(N[C@H](CC(=O)OCC)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of CID 134941930?
The InChIKey is GNCOHQVPKQIFGJ-IHLOFXLRSA-N. The full InChI is InChI=1S/C32H42N2O3S/c1-6-37-31(35)23-29(33-38(5,36)32(2,3)4)30(22-26-16-10-7-11-17-26)34(24-27-18-12-8-13-19-27)25-28-20-14-9-15-21-28/h5,7-21,29-30,33,36H,6,22-25H2,1-4H3/t29-,30+/m1/s1.
What are the key properties of CID 134941930?
CID 134941930 has a molecular weight of 534.77 g/mol, XLogP of 6.87, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134941930 is sourced from PubChem (CID 134941930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).