N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide

C18H13FN2O4S — CID 7969966

IUPACN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H13FN2O4S/c19-13-6-2-4-8-15(13)26-10-16(22)20-21-17(23)12-9-11-5-1-3-7-14(11)25-18(12)24/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyBQDOWTHWJANSSO-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.49
Rot. Bonds4

About N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide

N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide (PubChem CID 7969966) has the molecular formula C18H13FN2O4S and a molecular weight of 372.38 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide
PubChem CID7969966
Molecular FormulaC18H13FN2O4S
Molecular Weight372.38 g/mol
Exact Mass372.06
IUPAC NameN'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H13FN2O4S/c19-13-6-2-4-8-15(13)26-10-16(22)20-21-17(23)12-9-11-5-1-3-7-14(11)25-18(12)24/h1-9H,10H2,(H,20,22)(H,21,23)
InChIKeyBQDOWTHWJANSSO-UHFFFAOYSA-N
XLogP2.49
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
CID 7780075
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
3-[2-(2-aminophenyl)sulfanylacetyl]chromen-2-one
CID 8553851
N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-oxochromene-3-carboxamide
CID 23828340
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-oxochromene-3-carboxamide
CID 8743684
N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide
CID 27006547
N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide
CID 2093520
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
N'-(5-bromofuran-2-carbonyl)-2-oxochromene-3-carbohydrazide
CID 599281

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide (CID 7969966) is N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide is O=C(CSc1ccccc1F)NNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide?
The InChIKey is BQDOWTHWJANSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4S/c19-13-6-2-4-8-15(13)26-10-16(22)20-21-17(23)12-9-11-5-1-3-7-14(11)25-18(12)24/h1-9H,10H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide?
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide has a molecular weight of 372.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide is sourced from PubChem (CID 7969966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).