CID 73348191

C37H34N2O2S — CID 73348191

IUPAC—
SMILESCc1ccccc1/C=C1\CN(C)C[C@@]2(C1=O)[C@@H](c1ccccc1C)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23
InChIInChI=1S/C37H34N2O2S/c1-23-10-4-6-12-26(23)18-27-19-38(3)21-36(34(27)40)33(28-15-7-5-11-24(28)2)31-20-42-22-39(31)37(36)30-17-9-14-25-13-8-16-29(32(25)30)35(37)41/h4-18,31,33H,19-22H2,1-3H3/b27-18+/t31-,33-,36-,37-/m0/s1
InChIKeyNVXDHORIAUGGJT-IWMWNFPRSA-N
MW570.76 g/mol
LogP6.61
Rot. Bonds2

About CID 73348191

CID 73348191 (PubChem CID 73348191) has the molecular formula C37H34N2O2S and a molecular weight of 570.76 g/mol.

Molecular Properties

Compound NameCID 73348191
PubChem CID73348191
Molecular FormulaC37H34N2O2S
Molecular Weight570.76 g/mol
Exact Mass570.23
IUPAC Name—
SMILESCc1ccccc1/C=C1\CN(C)C[C@@]2(C1=O)[C@@H](c1ccccc1C)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23
InChIInChI=1S/C37H34N2O2S/c1-23-10-4-6-12-26(23)18-27-19-38(3)21-36(34(27)40)33(28-15-7-5-11-24(28)2)31-20-42-22-39(31)37(36)30-17-9-14-25-13-8-16-29(32(25)30)35(37)41/h4-18,31,33H,19-22H2,1-3H3/b27-18+/t31-,33-,36-,37-/m0/s1
InChIKeyNVXDHORIAUGGJT-IWMWNFPRSA-N
XLogP6.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.76
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 73348191 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 73348191?
The IUPAC name of CID 73348191 (CID 73348191) is not available.
What is the SMILES notation for CID 73348191?
The canonical SMILES for CID 73348191 is Cc1ccccc1/C=C1\CN(C)C[C@@]2(C1=O)[C@@H](c1ccccc1C)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23.
What is the InChIKey of CID 73348191?
The InChIKey is NVXDHORIAUGGJT-IWMWNFPRSA-N. The full InChI is InChI=1S/C37H34N2O2S/c1-23-10-4-6-12-26(23)18-27-19-38(3)21-36(34(27)40)33(28-15-7-5-11-24(28)2)31-20-42-22-39(31)37(36)30-17-9-14-25-13-8-16-29(32(25)30)35(37)41/h4-18,31,33H,19-22H2,1-3H3/b27-18+/t31-,33-,36-,37-/m0/s1.
What are the key properties of CID 73348191?
CID 73348191 has a molecular weight of 570.76 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73348191 is sourced from PubChem (CID 73348191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).