CID 132602337

C19H28N3O2S2 — CID 132602337

IUPAC—
SMILESCNC(CSSCC1=C(c2cccnc2)C(C)(C)N([O])C1(C)C)C(C)=O
InChIInChI=1S/C19H28N3O2S2/c1-13(23)16(20-6)12-26-25-11-15-17(14-8-7-9-21-10-14)19(4,5)22(24)18(15,2)3/h7-10,16,20H,11-12H2,1-6H3
InChIKeyYBUMKUZFFOFZGG-UHFFFAOYSA-N
MW394.59 g/mol
LogP3.61
Rot. Bonds8

About CID 132602337

CID 132602337 (PubChem CID 132602337) has the molecular formula C19H28N3O2S2 and a molecular weight of 394.59 g/mol.

Molecular Properties

Compound NameCID 132602337
PubChem CID132602337
Molecular FormulaC19H28N3O2S2
Molecular Weight394.59 g/mol
Exact Mass394.16
IUPAC Name—
SMILESCNC(CSSCC1=C(c2cccnc2)C(C)(C)N([O])C1(C)C)C(C)=O
InChIInChI=1S/C19H28N3O2S2/c1-13(23)16(20-6)12-26-25-11-15-17(14-8-7-9-21-10-14)19(4,5)22(24)18(15,2)3/h7-10,16,20H,11-12H2,1-6H3
InChIKeyYBUMKUZFFOFZGG-UHFFFAOYSA-N
XLogP3.61
TPSA65.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 132602337?
The IUPAC name of CID 132602337 (CID 132602337) is not available.
What is the SMILES notation for CID 132602337?
The canonical SMILES for CID 132602337 is CNC(CSSCC1=C(c2cccnc2)C(C)(C)N([O])C1(C)C)C(C)=O.
What is the InChIKey of CID 132602337?
The InChIKey is YBUMKUZFFOFZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N3O2S2/c1-13(23)16(20-6)12-26-25-11-15-17(14-8-7-9-21-10-14)19(4,5)22(24)18(15,2)3/h7-10,16,20H,11-12H2,1-6H3.
What are the key properties of CID 132602337?
CID 132602337 has a molecular weight of 394.59 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132602337 is sourced from PubChem (CID 132602337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).