N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide

C20H17N3S — CID 135244040

IUPACN'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccccc1Nc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C20H17N3S/c1-13(21)22-17-7-3-4-8-18(17)23-14-10-11-20-16(12-14)15-6-2-5-9-19(15)24-20/h2-12,23H,1H3,(H2,21,22)
InChIKeyNWDGOOSBQYEGSE-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.81
Rot. Bonds3

About N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide

N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide (PubChem CID 135244040) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide
PubChem CID135244040
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC NameN'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccccc1Nc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C20H17N3S/c1-13(21)22-17-7-3-4-8-18(17)23-14-10-11-20-16(12-14)15-6-2-5-9-19(15)24-20/h2-12,23H,1H3,(H2,21,22)
InChIKeyNWDGOOSBQYEGSE-UHFFFAOYSA-N
XLogP5.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide?
The IUPAC name of N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide (CID 135244040) is N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide.
What is the SMILES notation for N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide?
The canonical SMILES for N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide is C/C(N)=N\c1ccccc1Nc1ccc2sc3ccccc3c2c1.
What is the InChIKey of N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide?
The InChIKey is NWDGOOSBQYEGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-13(21)22-17-7-3-4-8-18(17)23-14-10-11-20-16(12-14)15-6-2-5-9-19(15)24-20/h2-12,23H,1H3,(H2,21,22).
What are the key properties of N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide?
N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide has a molecular weight of 331.44 g/mol, XLogP of 5.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dibenzothiophen-2-ylamino)phenyl]ethanimidamide is sourced from PubChem (CID 135244040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).