N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide

C19H13FN2O2S — CID 44722874

IUPACN-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C19H13FN2O2S/c20-14-6-7-16-15(9-14)18-13(11-24-16)8-17(25-18)19(23)22-21-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,23)/b21-10+
InChIKeyTWMFPSCTDFHIPQ-UFFVCSGVSA-N
MW352.39 g/mol
LogP4.21
Rot. Bonds3

About N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide

N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 44722874) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID44722874
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC NameN-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C19H13FN2O2S/c20-14-6-7-16-15(9-14)18-13(11-24-16)8-17(25-18)19(23)22-21-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,23)/b21-10+
InChIKeyTWMFPSCTDFHIPQ-UFFVCSGVSA-N
XLogP4.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloroquinolin-3-yl)methylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide
CID 44722872
N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 31725309
N-[(Z)-benzylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9462390
N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine
CID 143268048
N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-8-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 44722860
[2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253215
N-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948
N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 841340
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
2-methyl-2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119199749
N-(4-fluorophenyl)-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
CID 27849699
N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide (CID 44722874) is N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide is O=C(N/N=C/c1ccccc1)c1cc2c(s1)-c1cc(F)ccc1OC2.
What is the InChIKey of N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is TWMFPSCTDFHIPQ-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-14-6-7-16-15(9-14)18-13(11-24-16)8-17(25-18)19(23)22-21-10-12-4-2-1-3-5-12/h1-10H,11H2,(H,22,23)/b21-10+.
What are the key properties of N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 44722874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).