N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide

C16H14N2OS — CID 123570357

IUPACN-(2,3-dihydrothiochromen-4-ylideneamino)benzamide
SMILESO=C(NN=C1CCSc2ccccc21)c1ccccc1
InChIInChI=1S/C16H14N2OS/c19-16(12-6-2-1-3-7-12)18-17-14-10-11-20-15-9-5-4-8-13(14)15/h1-9H,10-11H2,(H,18,19)
InChIKeyMJUNWVAHLWDKGM-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.32
Rot. Bonds2

About N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide

N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide (PubChem CID 123570357) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydrothiochromen-4-ylideneamino)benzamide
PubChem CID123570357
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(2,3-dihydrothiochromen-4-ylideneamino)benzamide
SMILESO=C(NN=C1CCSc2ccccc21)c1ccccc1
InChIInChI=1S/C16H14N2OS/c19-16(12-6-2-1-3-7-12)18-17-14-10-11-20-15-9-5-4-8-13(14)15/h1-9H,10-11H2,(H,18,19)
InChIKeyMJUNWVAHLWDKGM-UHFFFAOYSA-N
XLogP3.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2,3-dihydrothiochromen-4-ylideneamino]-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 172942933
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6520422
N-(cyclododecylideneamino)benzamide
CID 4147051
(4Z)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
CID 5405803
(2,3-dihydrothiochromen-4-ylideneamino) (Z)-3-phenylprop-2-enoate
CID 129438079
2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
CID 9467470
(5-oxo-2,3-dihydro-1-benzothiepin-4-ylidene)methyl benzoate
CID 71325453
N-[(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-(2-methoxyanilino)acetamide
CID 4541197
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
[(Z)-2,3-dihydrothiochromen-4-ylideneamino] 3,4,5-trimethoxybenzoate
CID 6522386

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide?
The IUPAC name of N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide (CID 123570357) is N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide.
What is the SMILES notation for N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide?
The canonical SMILES for N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide is O=C(NN=C1CCSc2ccccc21)c1ccccc1.
What is the InChIKey of N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide?
The InChIKey is MJUNWVAHLWDKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-16(12-6-2-1-3-7-12)18-17-14-10-11-20-15-9-5-4-8-13(14)15/h1-9H,10-11H2,(H,18,19).
What are the key properties of N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide?
N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide has a molecular weight of 282.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydrothiochromen-4-ylideneamino)benzamide is sourced from PubChem (CID 123570357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).